TAKANO Yu 鷹野優

Researcher Number	30403017
Other IDs
Affiliation (Current)	2025: 広島市立大学, 情報科学研究科, 教授
Affiliation (based on the past Project Information) *help	2015 – 2024: 広島市立大学, 情報科学研究科, 教授 2011 – 2014: 大阪大学, たんぱく質研究所, 助教 2011: 大阪大学, 蛋白質研究所, 助教 2007 – 2009: Osaka University, Institute for Protein Research, Assistant Professor 2006: 大阪大学, 蛋白質研究所, 助手
Review Section/Research Field	Principal Investigator Science and Engineering / Basic Section 43040:Biophysics-related / Biological Sciences / Biophysics / Physical chemistry Except Principal Investigator Biophysics / Science and Engineering / Basic Section 43040:Biophysics-related / Transformative Research Areas, Section (II)
Keywords	Principal Investigator 密度汎関数法 / 分子力場 / 二次構造 / 水素結合 / 金属タンパク質 / 分子動力学法 / 量子化学計算 / 分子動力学シミュレーション / 蛋白質 / QM/MM計算 … More / 構造機能相関 / 人工蛋白質 / コイルドコイル / 電子状態計算 / 化学結合 / 自然軌道解析 / αヘリックス / 構造形成 / 高次構造 / タンパク質 / ヘム / レアイベント / 光化学系II / 半経験的分子軌道法 / 分子シミュレーション / 光合成光化学系II / ヘムタンパク質 / 活性サイト / モデリング / 銅 / 金属酵素 / 金属タンバク質 / 雷子状態計算 / 遷移金属 / 生体分子 / 量子化学 / 電子状態 / 分子軌道法 / モノアミン酸化酵素A / チトクロムc酸化酵素 … More Except Principal Investigator 分子シミュレーション / 第一原理計算 / 先端材料 / 不純物 / 活性サイト / 電子回折イメージング / 表面界面ホログラフィー / 蛍光X線ホログラフィー / 光電子ホログラフィー / 生物物理 / 機械学習 / 構造機能相関 / データベース / 分子力場 / ヘムタンパク質 / 化学反応解析 / 酸化物 / 巨大誘電応答 / 理論化学 / 物性物理 / 金属含有タンパク質 / 大域的構造探索 / 超秩序構造 / 分子動力学計算 / 化学反応計算 / 大規模第一原理計算 / 蛍光X線ﾎﾛｸﾞﾗﾌｨｰ / 蛍光Ｘ線ホログラフィー / 膜蛋白質 / 膜タンパク質 / 膜輸送機構 / プロトン透過 / 分子動力学シミュレーション / 生体膜間物質輸送 / Reaction free energy / Electron state / Molecular simulation / Molecular dynamics / Quantum chemistry / Biological macromolecules / Enzymatic reaction / Biophysics / 反応自由エネルギー / 電子状態 / 分子動力学 / 量子化学 / 生体分子 / 酵素反応 / ドーバント / 表面・界面 / ホログラフィー / ナノ物質 / 界面 / ドーパント / 構造予測 / 構造エネルギー / 蛋白質 Less

タンパク質により生み出されるヘムの多機能性の起源の解明
- Principal Investigator
  
  近藤寛子
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 43040:Biophysics-related
- Research Institution
  Kitami Institute of Technology
Computational study on the secondary structure dependence of the interaction in protein tertiary structure formation and the development of a new force fieldPrincipal Investigator
- Principal Investigator
  
  鷹野優
- Project Period (FY)
  2022 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 43040:Biophysics-related
- Research Institution
  Hiroshima City University
大規模・高精度な第一原理計算による超秩序構造の機能解明とデザイン
- Principal Investigator
  
  中田彩子
- Project Period (FY)
  2020 – 2024
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  National Institute for Materials Science
Elucidation of dependence of secondary structure on the formation of protein structure and development of new forcefield incorporating effects of secondary structurePrincipal Investigator
- Principal Investigator
  
  Takano Yu
- Project Period (FY)
  2019 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 43040:Biophysics-related
- Research Institution
  Hiroshima City University
Elucidation of dependence of secondary structure on the formation of protein structure and development of new forcefield incorporating effects of secondary structurePrincipal Investigator
- Principal Investigator
  
  Takano Yu
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Biophysics
- Research Institution
  Hiroshima City University
A Simulation Study on the Mechanism of Membrane Voltage Depended Protein VSOP
- Principal Investigator
  
  Yonezawa Yasushige
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Biophysics
- Research Institution
  Kindai University
Construction of oversea base and international network for 3D active site science
- Principal Investigator
  
  DAIMON Hiroshi
- Project Period (FY)
  2015 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Nara Institute of Science and Technology
Supervision and research support by platform construction of 3D active-site science
- Principal Investigator
  
  DAIMON Hiroshi
- Project Period (FY)
  2014 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Nara Institute of Science and Technology
Elucidation of Structure-Function Relationship of Biological Active Sites and New Material Design by Molecular SimulationPrincipal Investigator
- Principal Investigator
  
  Takano Yu
- Project Period (FY)
  2014 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Hiroshima City University
  Osaka University
コイルドコイル内の反応空間制御による人工銅蛋白質の機能制御に向けた理論設計Principal Investigator
- Principal Investigator
  
  鷹野優
- Project Period (FY)
  2013 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka University
理論計算によるコイルドコイルを用いた機能性遷移金属蛋白質の演繹的デザインPrincipal Investigator
- Principal Investigator
  
  鷹野優
- Project Period (FY)
  2011 – 2012
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka University
Development and validation of a new force field depending on protein structures for molecular dynamics simulations
- Principal Investigator
  
  NAKAMURA Haruki
- Project Period (FY)
  2011 – 2012
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Biophysics
- Research Institution
  Osaka University
分子シミュレーションによる生体超分子複合体の構造機能相関の理論的研究Principal Investigator
- Principal Investigator
  
  鷹野優
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Biological Sciences
- Research Institution
  Osaka University
分子シミュレーション支援による生体超分子複合体の構造機能相関の理論的研究Principal Investigator
- Principal Investigator
  
  鷹野優
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Biological Sciences
- Research Institution
  Osaka University
Theoretical study of the electronic structure of the active site of metalloproteinsPrincipal Investigator
- Principal Investigator
  
  TAKANO Yu
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Osaka University
Theortical study of free energy landscapes of biological macromolecules by the hybrid computation for electronic structure and molecular structure sampling
- Principal Investigator
  
  NAKAMURA Haruki
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Biophysics
- Research Institution
  Osaka University

[Book] Molecular dynamics2023
- Author(s)
  Yu Takano, Takahiro Ohkubo, Satoshi Watanabe
- Total Pages
  31
- Publisher
  Springer
- ISBN
  9789819952342
- Data Source
  KAKENHI-PLANNED-20H05883
[Book] 金属錯体の量子・計算化学2014
- Author(s)
  山口　兆・榊　茂好・増田秀樹（編）鷹野　優ら３３名
- Total Pages
  540
- Publisher
  三共出版
- Data Source
  KAKENHI-PLANNED-26105012
[Book] 金属錯体の量子・計算化学2014
- Author(s)
  山口兆、榊茂好、増田秀樹、磯部　寛・江原正博・奥村光隆・蒲池高志・川上貴資・岸　亮平・北河康隆、倉重佑輝・古賀伸明・小関史朗・佐藤啓文・塩田淑仁・重田育照・庄司光男、杉本　学・鷹野　優・高柳昌芳・田中晃二・常田貴夫・中井浩巳・長岡正隆、中嶋隆人・中谷直輝・中野晴之・中野雅由・波田雅彦他
- Total Pages
  540
- Publisher
  三共出版
- Data Source
  KAKENHI-ORGANIZER-26105001
[Book] Quantum Systems in Chemistry and Physics -Progress in Methods and Applications-, Progress in Theoretical Chemistry and Physics Vol. 262013
- Author(s)
  Y. Takano, O. Okuyama, Y. Shigeta, H. Nakamura
- Publisher
  Density functional study of the origin of the strongly delocalized electronic structure of the CuA site in cytochrome c oxidase
- Data Source
  KAKENHI-PUBLICLY-23104506
[Journal Article] C?H bond dissociation enthalpy prediction with machine learning reinforced semi-empirical quantum mechanical calculations2024
- Author(s)
  Kaneko Miki、Takano Yu、Saito Toru
- Journal Title
  
  Chemistry Letters
  
  Volume: 53 Issue: 2
- DOI
  10.1093/chemle/upae016
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PROJECT-21K04985, KAKENHI-PLANNED-20H05883
[Journal Article] Semi-empirical and machine learning-based prediction of site of metabolisms mediated by aldehyde oxidase2023
- Author(s)
  Shiotake Yuto、Takano Yu、Saito Toru
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 833 Pages: 140942-140942
- DOI
  10.1016/j.cplett.2023.140942
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PROJECT-21K04985, KAKENHI-PLANNED-20H05883
[Journal Article] Negative fragmentation approach for investigating the depolarization effect of neighboring residues on hydrogen bonds in π-helix2023
- Author(s)
  Kondo Hiroko X.、Nakamura Haruki、Takano Yu
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 815 Pages: 140361-140361
- DOI
  10.1016/j.cplett.2023.140361
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589
[Journal Article] Development of serial X-ray fluorescence holography for radiation-sensitive protein crystals2023
- Author(s)
  Ang Artoni Kevin R.、Umena Yasufumi、Sato-Tomita Ayana、Shibayama Naoya、Happo Naohisa、Marumi Riho、Yamamoto Yuta、Kimura Koji、Kawamura Naomi、Takano Yu、Matsushita Tomohiro、Sasaki Yuji C.、Shen Jian-Ren、Hayashi Kouichi
- Journal Title
  
  Journal of Synchrotron Radiation
  
  Volume: 30 Issue: 2 Pages: 368-378
- DOI
  10.1107/s1600577522011833
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05881, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-22K06100, KAKENHI-ORGANIZER-20H05878, KAKENHI-PROJECT-22H04916, KAKENHI-PLANNED-20H05884
[Journal Article] Random Forest Classifier of Heme Proteins Using Porphyrin Distortions and Axial Ligands of Heme2023
- Author(s)
  Fujikawa Hinako、Kondo Hiroko X.、Kanematsu Yusuke、Takano Yu
- Journal Title
  
  Chemistry Letters
  
  Volume: 52 Issue: 6 Pages: 503-507
- DOI
  10.1246/cl.230150
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PROJECT-23K05707, KAKENHI-PROJECT-21K14741, KAKENHI-PUBLICLY-22H04813, KAKENHI-PLANNED-20H05883
[Journal Article] 超秩序構造の理論計算による解明に向けて-第一原理計算や分子動力学、機械学習による解析-2023
- Author(s)
  中田彩子、宮崎剛、鷹野優、森川良忠
- Journal Title
  
  CERAMICS JAPAN
  
  Volume: 58 Pages: 522-526
- Data Source
  KAKENHI-PLANNED-20H05883
[Journal Article] Prediction of Protein Function from Tertiary Structure of the Active Site in Heme Proteins by Convolutional Neural Network2023
- Author(s)
  Kondo Hiroko X.、Iizuka Hiroyuki、Masumoto Gen、Kabaya Yuichi、Kanematsu Yusuke、Takano Yu
- Journal Title
  
  Biomolecules
  
  Volume: 13 Issue: 1 Pages: 137-137
- DOI
  10.3390/biom13010137
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PROJECT-21K14741, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589, KAKENHI-PUBLICLY-22H04813
[Journal Article] Unraveling Binding Mechanism and Stability of Urease Inhibitors: A QM/MM MD Study2023
- Author(s)
  Suenaga Shunya、Takano Yu、Saito Toru
- Journal Title
  
  Molecules
  
  Volume: 28 Issue: 6 Pages: 2697-2697
- DOI
  10.3390/molecules28062697
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K04985, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-18KK0194
[Journal Article] Computational Exploration of Minimum Energy Reaction Pathway of N2O Formation from Intermediate I of P450nor Using an Active Center Model2023
- Author(s)
  Kanematsu Yusuke、Kondo Hiroko X.、Takano Yu
- Journal Title
  
  International Journal of Molecular Sciences
  
  Volume: 24 Issue: 24 Pages: 17172-17172
- DOI
  10.3390/ijms242417172
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PROJECT-23K05707, KAKENHI-PUBLICLY-22H04813, KAKENHI-PLANNED-20H05883
[Journal Article] Global Analysis of Heme Proteins Elucidates the Correlation between Heme Distortion and the Heme-Binding Pocket2022
- Author(s)
  Kondo Hiroko X.、Fujii Masanori、Tanioka Takuma、Kanematsu Yusuke、Yoshida Takashi、Takano Yu
- Journal Title
  
  Journal of Chemical Information and Modeling
  
  Volume: 62 Issue: 4 Pages: 775-784
- DOI
  10.1021/acs.jcim.1c01315
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589, KAKENHI-PROJECT-21K14741
[Journal Article] Conformational Preference of Flavonols and Its Effect on the Chemical Properties Involved in Radical Scavenging Activity2022
- Author(s)
  Kondo Hiroko X.、Takano Yu
- Journal Title
  
  Chemistry
  
  Volume: 4 Issue: 4 Pages: 1123-1135
- DOI
  10.3390/chemistry4040076
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589
[Journal Article] Elucidation of the Correlation between Heme Distortion and Tertiary Structure of the Heme-Binding Pocket Using a Convolutional Neural Network2022
- Author(s)
  Kondo Hiroko X.、Iizuka Hiroyuki、Masumoto Gen、Kabaya Yuichi、Kanematsu Yusuke、Takano Yu
- Journal Title
  
  Biomolecules
  
  Volume: 12 Issue: 9 Pages: 1172-1172
- DOI
  10.3390/biom12091172
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589, KAKENHI-PUBLICLY-22H04813, KAKENHI-PROJECT-21K14741
[Journal Article] Evaluation of an Appropriate Standard Hydrogen Electrode Potential for Computing Redox Potentials of Catechins with Density Functional Theory2022
- Author(s)
  Duan Lian、Takano Yu、Shigeta Yasuteru
- Journal Title
  
  Chemistry Letters
  
  Volume: 51 Issue: 7 Pages: 673-677
- DOI
  10.1246/cl.220165
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589
[Journal Article] Depolarizing Effects in Hydrogen Bond Energy in 310-Helices Revealed by Quantum Chemical Analysis2022
- Author(s)
  Kondo Hiroko X.、Nakamura Haruki、Takano Yu
- Journal Title
  
  International Journal of Molecular Sciences
  
  Volume: 23 Issue: 16 Pages: 9032-9032
- DOI
  10.3390/ijms23169032
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589
[Journal Article] Analysis of Fluctuation in the Heme-Binding Pocket and Heme Distortion in Hemoglobin and Myoglobin2022
- Author(s)
  Kondo Hiroko X.、Takano Yu
- Journal Title
  
  Life
  
  Volume: 12 Issue: 2 Pages: 210-210
- DOI
  10.3390/life12020210
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589
[Journal Article] QM/MM Molecular Dynamics Simulations Revealed Catalytic Mechanism of Urease2022
- Author(s)
  Saito Toru、Takano Yu
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 126 Issue: 10 Pages: 2087-2097
- DOI
  10.1021/acs.jpcb.1c10200
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-21K04985, KAKENHI-PROJECT-18KK0194
[Journal Article] Structures and mechanisms of actin ATP hydrolysis2022
- Author(s)
  Kanematsu Yusuke、Narita Akihiro、Oda Toshiro、Koike Ryotaro、Ota Motonori、Takano Yu、Moritsugu Kei、Fujiwara Ikuko、Tanaka Kotaro、Komatsu Hideyuki、Nagae Takayuki、Watanabe Nobuhisa、Iwasa Mitsusada、Ma?da Yuichiro、Takeda Shuichi
- Journal Title
  
  Proceedings of the National Academy of Sciences
  
  Volume: 119 Issue: 43
- DOI
  10.1073/pnas.2122641119
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K03883, KAKENHI-PROJECT-20K06522, KAKENHI-PROJECT-22K06172, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K12217, KAKENHI-PUBLICLY-21H00394, KAKENHI-PUBLICLY-22H04813, KAKENHI-PLANNED-20H05932
[Journal Article] Effects of Active-Center Reduction of Plant-Type Ferredoxin on Its Structure and Dynamics: Computational Analysis Using Molecular Dynamics Simulations2022
- Author(s)
  Nakayoshi Tomoki、Ohnishi Yusuke、Tanaka Hideaki、Kurisu Genji、Kondo Hiroko X.、Takano Yu
- Journal Title
  
  International Journal of Molecular Sciences
  
  Volume: 23 Issue: 24 Pages: 15913-15913
- DOI
  10.3390/ijms232415913
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PLANNED-20H05879, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-21H02417
[Journal Article] Quantum chemical studies on hydrogen bonds in helical secondary structures2022
- Author(s)
  Takano Yu、Kondo Hiroko X.、Nakamura Haruki
- Journal Title
  
  Biophysical Reviews
  
  Volume: 14 Issue: 6 Pages: 1369-1378
- DOI
  10.1007/s12551-022-01034-5
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K06164, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589
[Journal Article] Structure of Heme-binding Pocket in Heme Protein is Generally Rigid and can be Predicted by AlphaFold22022
- Author(s)
  Kondo Hiroko X.、Kanematsu Yusuke、Takano Yu
- Journal Title
  
  Chemistry Letters
  
  Volume: 51 Issue: 7 Pages: 704-708
- DOI
  10.1246/cl.220172
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589, KAKENHI-PUBLICLY-22H04813
[Journal Article] Predicting Reaction Mechanisms for the Threonine-Residue Stereoinversion Catalyzed by a Dihydrogen Phosphate Ion2022
- Author(s)
  Nakayoshi Tomoki、Kato Koichi、Kurimoto Eiji、Takano Yu、Oda Akifumi
- Journal Title
  
  ACS Omega
  
  Volume: 7 Issue: 22 Pages: 18306-18314
- DOI
  10.1021/acsomega.2c00372
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19K06589
[Journal Article] Short-lived intermediate in N2O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography2021
- Author(s)
  Nomura, T., Kimura, T., Kanematsu, Y., Yamada, D., Yamashita, K., Hirata, K., Ueno, G., Murakami, H., Hisano, T., Yamagiwa, R., Takeda, H., Gopalasingam, C., Kousaka, R., Yanagisawa, S., Shoji, O., Kumasaka, T., Yamamoto, M., Takano, Y., Sugimoto, H., Tosha, T., Kubo, M., Shiro, Y
- Journal Title
  
  Proceedings of the National Academy of Sciences
  
  Volume: 118 Issue: 21
- DOI
  10.1073/pnas.2101481118
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K05698, KAKENHI-PLANNED-19H05761, KAKENHI-PLANNED-19H05784, KAKENHI-PUBLICLY-20H05451, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19H00926, KAKENHI-PROJECT-19H03171, KAKENHI-PROJECT-21H02064
[Journal Article] Spin‐projected QM/MM Free Energy Simulations for Oxidation Reaction of Guanine in B?DNA by Singlet Oxygen2021
- Author(s)
  Saito Toru、Takano Yu
- Journal Title
  
  ChemPhysChem
  
  Volume: 22 Issue: 6 Pages: 561-568
- DOI
  10.1002/cphc.202000978
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K06589, KAKENHI-PROJECT-18KK0194, KAKENHI-PLANNED-20H05883
[Journal Article] Theoretical Prediction of the Redox Potential of Catechins with First Principle Calculation2021
- Author(s)
  DUAN Lian、TAKANO Yu、SHIGETA Yasuteru
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 20 Issue: 4 Pages: 137-139
- DOI
  10.2477/jccj.2022-0002
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K06589
[Journal Article] PyDISH: database and analysis tools for heme porphyrin distortion in heme proteins2020
- Author(s)
  Kondo Hiroko X、Kanematsu Yusuke、Masumoto Gen、Takano Yu
- Journal Title
  
  Database
  
  Volume: 2020
- DOI
  10.1093/database/baaa066
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K06589, KAKENHI-PROJECT-19H02752
[Journal Article] Quantitative assessment of reparameterized PM6 (rPM6) for hydrogen abstraction reactions2020
- Author(s)
  Saito Toru、Kambara Hiroki、Takano Yu
- Journal Title
  
  Molecular Physics
  
  Volume: 118 Issue: 14 Pages: e1700313-e1700313
- DOI
  10.1080/00268976.2019.1700313
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K06589
[Journal Article] Hydrogen bond donors and acceptors are generally depolarized in ホア窶辛elices as revealed by a molecular tailoring approach2019
- Author(s)
  *H. X. Kondo, A. Kusaka, C. K. Kitakawa, J. Onari, S. Yamanaka, H. Nakamura, *Y. Takano
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 40 Issue: 23 Pages: 2043-2052
- DOI
  10.1002/jcc.25859
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K07325, KAKENHI-PROJECT-19K06589, KAKENHI-WRAPUP-19H05451, KAKENHI-PROJECT-19H02752
[Journal Article] Effects of a remote mutation from the contact paratope on the structure of CDR-H3 in the anti-HIV neutralizing antibody PG162019
- Author(s)
  Kondo Hiroko X.、Kiribayashi Ryo、Kuroda Daisuke、Kohda Jiro、Kugimiya Akimitsu、Nakano Yasuhisa、Tsumoto Kouhei、Takano Yu
- Journal Title
  
  Scientific Reports
  
  Volume: 9 Issue: 1 Pages: 19840-19840
- DOI
  10.1038/s41598-019-56154-y
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K06589, KAKENHI-WRAPUP-19H05451, KAKENHI-PROJECT-19H03522, KAKENHI-PROJECT-19H04202, KAKENHI-PROJECT-17H06109
[Journal Article] Singlet-Triplet Energy Gaps in Binuclear Copper Complexes and Organic Diradicals by Approximate Spin Projected Spin-unrestricted Coupled Cluster Method2019
- Author(s)
  Saito Toru、Takano Yu
- Journal Title
  
  Chemistry Letters
  
  Volume: 48 Issue: 12 Pages: 1441-1444
- DOI
  10.1246/cl.190666
- NAID
  130007757577
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K06589
[Journal Article] Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: Differences between oxidoreductases and oxygen carrier proteins2018
- Author(s)
  *Y. Kanematsu, H. X. Kondo, Y. Imada, Y. Takano
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 710 Pages: 108-112
- DOI
  10.1016/j.cplett.2018.08.071
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-16K07325
[Journal Article] Quantitative Assessment of rPM6 for Fluorine- andChlorine-Containing Metal Complexes:Comparison2018
- Author(s)
  T. Saito, M. Fujiwara, Y. Takano
- Journal Title
  
  Molecules
  
  Volume: 23 Pages: 3332-3332
- Peer Reviewed
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Density functional study of porphyrin distortion effects on redox potential of heme2018
- Author(s)
  Y. Imada, H. Nakamura, *Y. Takano
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 39 Issue: 3 Pages: 139-142
- DOI
  10.1002/jcc.25058
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K07325, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012
[Journal Article] Quantitative Assessment of rPM6 for Fluorine- andChlorine-Containing Metal Complexes: Comparison2018
- Author(s)
  T. Saito, M. Fujiwara, Y. Takano
- Journal Title
  
  Molecules
  
  Volume: 23 Pages: 3332-3332
- Peer Reviewed
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Local structure of FeSe0.4Te0.6 by low‐temperature x‐ray fluorescence holography2018
- Author(s)
  J. R. Stellhorn, Y. Ideguchi, K. Kimura, K. Hayashi, N. Happo, M. Suzuki, H. Okazaki, A. Yamashita, Y. Takano, and S. Hosokawa
- Journal Title
  
  Physica Stutus Solidi
  
  Volume: B
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Local structure of FeSe0.4Te0.6 by low‐temperature x‐ray fluorescence holography2018
- Author(s)
  J. R. Stellhorn, Y. Ideguchi, K. Kimura, K. Hayashi, N. Happo, M. Suzuki, H. Okazaki, A. Yamashita, Y. Takano, and S. Hosokawa
- Journal Title
  
  Physica Stutus Solidi
  
  Volume: B
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical Results2018
- Author(s)
  *T. Saito, M. Fujiwara, Y. Takano
- Journal Title
  
  Molecules
  
  Volume: 23 Issue: 12 Pages: 3332-3332
- DOI
  10.3390/molecules23123332
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-16K07325, KAKENHI-PROJECT-16K17856
[Journal Article] Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials2018
- Author(s)
  Takano Yu、Kobayashi Nobuhiko、Morikawa Yoshitada
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 87 Issue: 6 Pages: 061013-061013
- DOI
  10.7566/jpsj.87.061013
- NAID
  210000134839
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PLANNED-26105011, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-17H02780, KAKENHI-PROJECT-16K07325, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Enhancement of CO2 adsorption on oxygen-functionalized epitaxial graphene surface under near-ambient conditions2018
- Author(s)
  Yamamoto Susumu、Takeuchi Kaori、Hamamoto Yuji、Liu Ro-Ya、Shiozawa Yuichiro、Koitaya Takanori、Someya Takashi、Tashima Keiichiro、Fukidome Hirokazu、Mukai Kozo、Yoshimoto Shinya、Suemitsu Maki、Morikawa Yoshitada、Yoshinobu Jun、Matsuda Iwao
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Issue: 29 Pages: 19532-19538
- DOI
  10.1039/c8cp03251c
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K19011, KAKENHI-PUBLICLY-17H05212, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-18H01829, KAKENHI-PROJECT-16H06027, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Transition State Search Using rPM6: Iron- and Manganese-Catalyzed Oxidation Reactions as a Test Case2018
- Author(s)
  Saito Toru、Takano Yu
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 91 Issue: 9 Pages: 1377-1389
- DOI
  10.1246/bcsj.20180119
- NAID
  130007484202
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-16K07325, KAKENHI-PROJECT-16K17856, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] rPM6 parameters for phosphorous and sulphur-containing open-shell molecules2018
- Author(s)
  Toru Saito, Yu Takano
- Journal Title
  
  Molecular Physics
  
  Volume: 116 Issue: 5-6 Pages: 602-610
- DOI
  10.1080/00268976.2017.1377849
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K17856, KAKENHI-PROJECT-15KT0143, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-16K07325, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Electronic states and growth modes of Zn atoms deposited on Cu(111) studied by XPS, UPS and DFT2017
- Author(s)
  Koitaya Takanori、Shiozawa Yuichiro、Yoshikura Yuki、Mukai Kozo、Yoshimoto Shinya、Torii Siro、Muttaqien Fahdzi、Hamamoto Yuji、Inagaki Kouji、Morikawa Yoshitada、Yoshinobu Jun
- Journal Title
  
  Surf. Sci
  
  Volume: 663 Pages: 1-10
- DOI
  10.1016/j.susc.2017.03.015
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010
[Journal Article] Assessment of semi-empirical molecular orbital calculations for describing magnetic interactions2017
- Author(s)
  T. Saito, T. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura, Y. Takano
- Journal Title
  
  Polyhedron
  
  Volume: 印刷中 Pages: 52-57
- DOI
  10.1016/j.poly.2017.02.029
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05390, KAKENHI-PROJECT-15KT0143, KAKENHI-PROJECT-16K17856, KAKENHI-PROJECT-16K07325, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012
[Journal Article] CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies2017
- Author(s)
  Muttaqien Fahdzi、Hamamoto Yuji、Hamada Ikutaro、Inagaki Kouji、Shiozawa Yuichiro、Mukai Kozo、Koitaya Takanori、Yoshimoto Shinya、Yoshinobu Jun、Morikawa Yoshitada
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 147 Issue: 9 Pages: 094702-094702
- DOI
  10.1063/1.4994149
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105011, KAKENHI-PLANNED-26105010
[Journal Article] rPM6 parameters for manganese and application to transition state search for oxidation reactions of cyclohexene by manganese(IV)-oxo species2017
- Author(s)
  *T. Saito, Y. Takano
- Journal Title
  
  Chemistry Letters
  
  Volume: 46 Issue: 10 Pages: 1567-1569
- DOI
  10.1246/cl.170687
- NAID
  130006140026
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K07325, KAKENHI-PROJECT-16K17856, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-15KT0143
[Journal Article] Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate2017
- Author(s)
  Tosha Takehiko、Kubo Minoru, et. al
- Journal Title
  
  Nature Communications
  
  Volume: 8 Issue: 1 Pages: 1-9
- DOI
  10.1038/s41467-017-01702-1
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-15H05806, KAKENHI-PUBLICLY-17H05896, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-26220807, KAKENHI-PROJECT-15H03841, KAKENHI-PROJECT-17H03092, KAKENHI-PROJECT-15H05476, KAKENHI-PROJECT-15K18487
[Journal Article] Reparameterization of PM6 applied to organic diradical molecules2016
- Author(s)
  *T. Saito, Y. Kitagawa, Y. Takano
- Journal Title
  
  J. Phys. Chem. A,
  
  Volume: 120 Issue: 43 Pages: 8750-8760
- DOI
  10.1021/acs.jpca.6b08530
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-15KT0143, KAKENHI-PROJECT-16K07325, KAKENHI-PROJECT-16K17856, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] X-ray Fluorescence Holographic Study on High-Temperature Superconductor FeSe0.4Te0.62016
- Author(s)
  Yuki Ideguchi, Kenji Kamimura, Koji Kimura, Shinya Hosokawa, Naohisa Happo, Kouichi Hayashi, Yoshihiro Ebisu, Toru Ozaki, Jens R. Stellhorn, Motohiro Suzuki, Hiroyuki Okazaki, Aichi Yamashita, and Yoshihiko Takano
- Journal Title
  
  Z. Phys. Chem.
  
  Volume: 230 Issue: 4 Pages: 489-498
- DOI
  10.1515/zpch-2015-0671
- NAID
  120006697255
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105006, KAKENHI-PROJECT-16J05432, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Common folding processes of the fast-folding proteins: Partial formations of secondary structures initiate the immediate protein folding2016
- Author(s)
  *R. Harada,*Y. Takano, *Y. Shigeta,
- Journal Title
  
  J. Comput. Chem. in press.
  
  Volume: - Issue: 11 Pages: 767-853
- DOI
  10.1002/jcc.24748
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-15J03797, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PROJECT-16H06164
[Journal Article] “Applicability of Density Functional Tight Binding Method with Dispersion Correction to Investigate the Adsorption of Porphyrin/Porphycene Metal Complexes on Graphene”,2016
- Author(s)
  Y. Kanematsu, K. Gohara, H. Yamada, and Y. Takano
- Journal Title
  
  Chemistry Letters,
  
  Volume: 46 Issue: 1 Pages: 51-52
- DOI
  10.1246/cl.160887
- NAID
  130005308330
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105004, KAKENHI-PLANNED-26105009, KAKENHI-PLANNED-26105012, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Density functional study of molecular interactions in secondary structures of proteins2016
- Author(s)
  Takano Y, Kusaka A, Nakamura H
- Journal Title
  
  Biophysics and Physicobiology
  
  Volume: 13 Issue: 0 Pages: 27-35
- DOI
  10.2142/biophysico.13.0_27
- NAID
  130005126232
- ISSN
  2189-4779
- Language
  English
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-ORGANIZER-24118001, KAKENHI-PLANNED-24118008, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012
[Journal Article] TaBoo SeArch (TBSA) algorithm with a modified inverse histogram for reproducing biologically relevant rare-events of proteins,2016
- Author(s)
  *R. Harada,*Y. Takano, *Y. Shigeta,
- Journal Title
  
  J. Chem. Theory Comput.,
  
  Volume: 12 Issue: 5 Pages: 2346-2445
- DOI
  10.1021/acs.jctc.6b00082
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-15J03797, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PROJECT-16H06164
[Journal Article] Inverse Ubbelohde Effect in the Short Hydrogen Bond of Photosystem II: Relation between H/D Isotope Effect and Symmetry in Potential Energy Profile2016
- Author(s)
  Y. Kanematsu, Y. Takano, and M. Tachikawa,
- Journal Title
  
  J. Comput. Chem.
  
  Volume: 37 Issue: 23 Pages: 2140-2145
- DOI
  10.1002/jcc.24438
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PUBLICLY-16H00780, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-15KT0067, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Direct Interaction between the Voltage-sensors Produces Cooperative Sustained Deactivation in Voltage-gated H+ Channel Dimers.2016
- Author(s)
  Okuda H, Yonezawa Y, Takano Y, Okamura Y, Fujiwara Y.
- Journal Title
  
  Journal of Biological Chemistry
  
  Volume: 291 Issue: 11 Pages: 5935-5947
- DOI
  10.1074/jbc.m115.666834
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15K07037, KAKENHI-PUBLICLY-26111712, KAKENHI-ORGANIZER-15H05897, KAKENHI-PROJECT-25253016, KAKENHI-PROJECT-25670108, KAKENHI-PROJECT-26291030, KAKENHI-PLANNED-15H05901
[Journal Article] Development of Massive Multilevel Molecular Dynamics Simulation Program, Platypus (PLATform for dYnamic Protein Unified Simulation), for the Elucidation of Protein2016
- Author(s)
  Takano Y, Nakata K, Yonezawa Y, Nakamura H
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 37 Issue: 12 Pages: 1125-1132
- DOI
  10.1002/jcc.24318
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-ORGANIZER-24118001, KAKENHI-PLANNED-24118008, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012
[Journal Article] Protein folding pathways extracted by OFLOOD: Outlier FLOODing method2015
- Author(s)
  Ryuhei Harada, Tomotake Nakamura, Yu Takano, Yasuteru Shigeta
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 36 Issue: 2 Pages: 97-102
- DOI
  10.1002/jcc.23773
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-26105012, KAKENHI-PLANNED-26107004, KAKENHI-PROJECT-15J03797, KAKENHI-PROJECT-26840056
[Journal Article] Protein folding pathways extracted by OFLOOD: Outlier FLOODing method2015
- Author(s)
  R. Harada, T. Nakamura, Y. Takano, Y. Shigeta
- Journal Title
  
  J. Comput. Chem.
  
  Volume: 36 Pages: 97-102
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Efficient conformational sampling of proteins based on a multi-dimensional TaBoo SeArch algorithm:2015
- Author(s)
  Ryuhei Harada, Yu Takano, Yasuteru Shigeta
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 630 Pages: 68-75
- DOI
  10.1016/j.cplett.2015.04.039
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-15J03797, KAKENHI-PROJECT-26840056
[Journal Article] Simple, yet powerful methodologies for conformational sampling of proteins2015
- Author(s)
  Ryuhei Harada, Yu Takano, Takeshi Baba, Yasuteru Shigeta
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 17 Issue: 9 Pages: 6155-6173
- DOI
  10.1039/c4cp05262e
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-26105012, KAKENHI-PLANNED-26107004, KAKENHI-PROJECT-15J03797, KAKENHI-PROJECT-26840056
[Journal Article] Enhanced conformational sampling method for proteins based on the TaBoo SeArch (TBSA) algorithm: Application to the folding of a mini-protein, chignolin2015
- Author(s)
  R. Harada, Y. Takano, Y. Shigeta
- Journal Title
  
  J. Comput. Chem.
  
  Volume: 36 Pages: 763-772
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Signature of high Tc above 25K in high quality superconducting diamond2015
- Author(s)
  H. Okazaki, T. Wakita, T. Muro, T. Nakamura, Y. Muraoka, T. Yokoya, S. Kurihara, H. Kawarada, T. Oguchi, Y. Takano
- Journal Title
  
  Appl. Phys. Lett.
  
  Volume: 106 Pages: 052601-052601
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Enhanced conformational sampling method for proteins based on the TaBoo SeArch (TBSA) algorithm: Application to the folding of a mini-protein, chignolin2015
- Author(s)
  Ryuhei Harada, Yu Takano, Yasuteru Shigeta
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 36 Issue: 10 Pages: 763-772
- DOI
  10.1002/jcc.23854
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-15J03797, KAKENHI-PROJECT-26840056, KAKENHI-PLANNED-26107004
[Journal Article] H_20_2-dependent Substrate Oxidation by an Engineered Diiron Site in a Bacterial Hem erythrin2014
- Author(s)
  Yasunori Okamoto, Akira Onoda, Himshi Sugimoto, Yu Takano, Shun Hirota, Donald M. Kurtz, Jr., Yoshitsugu Shiro, Takashi Hayashi
- Journal Title
  
  Chemical Communications
  
  Volume: 50 Issue: 26 Pages: 3421-3423
- DOI
  10.1039/c3cc48108e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-11J00791, KAKENHI-PLANNED-22105013, KAKENHI-PROJECT-23657103, KAKENHI-PROJECT-24655051, KAKENHI-PUBLICLY-25104717
[Journal Article] Density functional study of the phosphodiester hydrolysis of RNA in RNA/DNA hybrid by RNase H2014
- Author(s)
  Kita M, Nakamura H, Takano Y
- Journal Title
  
  Mol. Phys
  
  Volume: 112 Issue: 3-4 Pages: 355-364
- DOI
  10.1080/00268976.2013.820854
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23657103, KAKENHI-PUBLICLY-25104717
[Journal Article] Proximity to Fermi-surface topological change in superconducting LaO0.54F0.46BiS22014
- Author(s)
  K. Terashima, J. Sonoyama, T. Wakita, M. Sunagawa, K. Ono, H. Kumigashira, T. Muro, M. Nagao, S. Watauchi, I. Tanaka, H. Okazaki, Y. Takano, O. Miura, Y. Mizuguchi, H. Usui, K. Suzuki, K. Kuroki, Y. Muraoka, T. Yokoya
- Journal Title
  
  Phys. Rev. B
  
  Volume: 90
- NAID
  120005606106
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Fluctuation Flooding Method (FFM) for accelerating conformational transitions on proteins.2014
- Author(s)
  Ryuhei Harada, Yu Takano, Yasuteru Shigeta
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 140 Issue: 12 Pages: 125103-125103
- DOI
  10.1063/1.4869594
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23657103, KAKENHI-PUBLICLY-25104717, KAKENHI-PUBLICLY-26102525, KAKENHI-PROJECT-26840056
[Journal Article] Mg2+-dependent interaction between ATP and the cystathionine-β-synthase (CBS) domains of ancient conserved domain protein/cyclin M (CNNM)2014
- Author(s)
  Hirata, Yusuke; Funato, Yosuke; Takano, Yu; Miki, Hiroaki
- Journal Title
  
  J. Biol. Chem.
  
  Volume: 印刷中
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-25104717
[Journal Article] Mg2+-dependent interaction between ATP and the cystathionine-β-synthase (CBS) domains of ancient conserved domain protein/cyclin M (CNNM).2014
- Author(s)
  Yusuke Hirata, Yosuke Funato, Yu Takano, Hiroaki Miki
- Journal Title
  
  J. Biol. Chem.
  
  Volume: 印刷中
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23657103
[Journal Article] Molecular Dynamics Simulations Accelerated by GPU for Biological Macromolecules with a Non-Ewald Scheme for Electrostatic Interactions2013
- Author(s)
  Mashimo T, Fukunishi Y, Kamiya N, Takano Y, Fukuda I, Nakamura H
- Journal Title
  
  J. Chem. Theory Comput
  
  Volume: 9 Issue: 12 Pages: 5599-5609
- DOI
  10.1021/ct400342e
- NAID
  120005604144
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23370071, KAKENHI-PROJECT-23657103, KAKENHI-PUBLICLY-25104717, KAKENHI-PROJECT-25390156, KAKENHI-PROJECT-25440070
[Journal Article] Evaluations of the conformational search accuracy of CAMDAS using experimental three-dimensional structures of protein-ligand complexes2013
- Author(s)
  Oda, Akifumi; Yamaotsu, Noriyuki; Hirono, Shuichi; Takano, Yu; Fukuyoshi Shuichi; Nakagaki, Ryoichi; Takahashi, Ohgi
- Journal Title
  
  J. Phys. Conf. Ser.
  
  Volume: 454 Pages: 12028-12028
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-25104717
[Journal Article] Quantum chemical study of conformational preferences in intermediates and transition states of the hydrolysis of dimethyl phosphate.2013
- Author(s)
  Yu Takano, Makoto Kita, Haruki Nakamura, Haruki
- Journal Title
  
  J. Phys. Conf. Ser.
  
  Volume: 454 Pages: 12058-12058
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23657103
[Journal Article] Crystal Structure, Exogenous Ligand Binding and Redox Properties of an Engineered Diiron Active Site in a Bacterial Hemeythrin2013
- Author(s)
  Yasunori Okamoto, Akira Onoda, Hiroshi Sugimoto, Yu Takano, Shun Hirota, Donald M. Kurtz, Jr., Yoshitsugu Shiro, Takashi Hayashi
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 52 Issue: 22 Pages: 13014-13020
- DOI
  10.1021/ic401632x
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-11J00791, KAKENHI-PLANNED-22105013, KAKENHI-PROJECT-23657103, KAKENHI-PUBLICLY-24108726, KAKENHI-PROJECT-24655051, KAKENHI-PUBLICLY-25102527, KAKENHI-PUBLICLY-25104717
[Journal Article] Theoretical studies of effect of protein environment on electronic structures and chemical indices of the active site of oxygenated and deoxygenated hemerythrin2013
- Author(s)
  Y. Takano, K. Yamaguchi, H. Nakamura
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 113 Issue: 4 Pages: 497-503
- DOI
  10.1002/qua.24107
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-23104506
[Journal Article] Computational study of conformational preferences in intermediates and transition states of the hydrolysis of dimethyl phosphate2013
- Author(s)
  Takano, Y., Kita, M., Nakamura, H.
- Journal Title
  
  IOP Journal of Physics: Conference Series
  
  Volume: 未定
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23657103
[Journal Article] Quantum chemical study of conformational preferences in intermediates and transition states of the hydrolysis of dimethyl phosphate2013
- Author(s)
  Takano, Yu; Kita, Makoto; Nakamura, Haruki
- Journal Title
  
  J. Phys. Conf. Ser.
  
  Volume: 454 Pages: 12058-12058
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-25104717
[Journal Article] Evaluations of the conformational search accuracy of CAMDAS using experimental three-dimensional structures of protein-ligand complexes.2013
- Author(s)
  Akifumi Oda, Noriyuki Yamaotsu, Shuichi Hirono, Yu Takano, Shuichi Fukuyoshi, Ryoichi Nakagaki, Ohgi Takahashi
- Journal Title
  
  J. Phys. Conf. Ser.
  
  Volume: 454 Pages: 12028-12028
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23657103
[Journal Article] Computational study of conformational preferences in intermediates and transition states of the hydrolysis of dimethyl phosphate2013
- Author(s)
  Y. Takano, M. Kita, H. Nakamura
- Journal Title
  
  IOP Journal of Physics: Conference Series
  
  Volume: -
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-23104506
[Journal Article] Density functional studies of the structural variety of the Cu2S2 core of the Cu-A site2012
- Author(s)
  Y. Takano
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Issue: 24 Pages: 3756-3762
- DOI
  10.1002/qua.24214
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22685003, KAKENHI-PROJECT-23657103, KAKENHI-PUBLICLY-23104506
[Journal Article] Possible Mechanisms of Water Splitting Reaction Based on Proton and Electron Release Pathways Revealed for CaMn_4O_5 Cluster of PSII Refined to 1.9 Å X-Ray Resolution2012
- Author(s)
  Toru Saito
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Issue: 1 Pages: 253-276
- DOI
  10.1002/qua.23218
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-09J01376, KAKENHI-PROJECT-10J02491, KAKENHI-PUBLICLY-23104506, KAKENHI-PROJECT-23550016, KAKENHI-PROJECT-24000018
[Journal Article] Electronic Structures of the Cu2S2 Core of the CuA Site in Cytochrome c Oxidase and Nitronous Oxide Reductase2012
- Author(s)
  Y. Takano
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Issue: 1 Pages: 208-218
- DOI
  10.1002/qua.23191
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22685003, KAKENHI-PUBLICLY-23104506
[Journal Article] Creation of a Binuclear Purple Copper Site within a de Novo Coiled-Coil Protein2012
- Author(s)
  D. Shiga, Y. Funahashi, H. Masuda, A. Kikuchi, M. Noda, S. Uchiyama, K. Fukui, K. Kanaori, K. Tajima, Y. Takano, H. Nakamura, M. Kamei, T. Tanaka
- Journal Title
  
  Biochemistry
  
  Volume: 51 Issue: 40 Pages: 7901-7907
- DOI
  10.1021/bi3007884
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22550060, KAKENHI-PROJECT-22550150, KAKENHI-PROJECT-23790264, KAKENHI-PUBLICLY-23104506
[Journal Article] Electronic structures of heme a of cytochrome c oxidase in the redox states -Roles of Propionate and Formyl Groups in Electron Transfer-2010
- Author(s)
  Y.Takano, H.Nakamura
- Journal Title
  
  Journal of Computational Chemistry 31
  
  Pages: 954-962
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20051013
[Journal Article] Theoretical studies of the magnetic couplings and the chemical indices of the biomimetic models of oxyhemocyanin and oxytyrosinase2009
- Author(s)
  Y. Takano, K. Koizumi, H. Nakamura
- Journal Title
  
  Inorg. Chim Acta (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] 光合成反応中心スペシャルペアの電子非対称性の構造的起源量子化学計算とバイオインフォマティクスによるアプローチ2009
- Author(s)
  山崎秀樹、鷹野優、中村春木
- Journal Title
  
  生物物理 49
  
  Pages: 84-85
- NAID
  10025975513
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20051013
[Journal Article] Density functional study of roles of porphyrin ring in electronic structures of heme.2009
- Author(s)
  Y.Takano, H.Nakamura
- Journal Title
  
  International Journal of Quantum Chemistry 109
  
  Pages: 3583-3591
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20051013
[Journal Article] Electronic structures of heme a of cytochrome c oxidase in the redox states -Roles of Propionate and Formyl Groups in Electron Transfer-2009
- Author(s)
  Y. Takano, H. Nakamura
- Journal Title
  
  J. Comput. Chem. (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Hybrid-DFT study on electronic structures of the active site of sweet potato purple acid phosphatase -The origin of stronger antiferromagnetic couplings than other purple acid phosphatase-2009
- Author(s)
  K. Koizumi, K. Yamaguchi, H. Nakamura, Y. Takano
- Journal Title
  
  J. Phys. Chem. A 113
  
  Pages: 5099-5104
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Theoretical studies on electronic structure and magnetic properties of mixed-valence uteroferrin active site2009
- Author(s)
  K. Koizumi, K. Yamaguchi, H. Nakamura, Y. Takano
- Journal Title
  
  Int. J. Quantum Chem. (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Membrane attachment facilitates ligand access to active site in monoamme oxidase A.2009
- Author(s)
  R.Apostolov, Y.Yonezawa, D.M.Standley, G.Kikugawa, Y.Takano, H.Nakamura
- Journal Title
  
  Biochemistry 48
  
  Pages: 5864-5873
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20051013
[Journal Article] A Theoretical Approach to a Novel Pathway of Proton Translocation of Cytochrome c Oxindase2008
- Author(s)
  Yu Takano
- Journal Title
  
  AIP Conf. Proc 1046
  
  Pages: 60-63
- Data Source
  KAKENHI-PROJECT-20051013
[Journal Article] Theoretical studies on electronic structurese and chemical indices of the active site in oxygenated and deoxygenated hemerythrin2008
- Author(s)
  Y., Takano
- Journal Title
  
  Bulletin of Chemical Society of Japan 81
  
  Pages: 91-102
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18054013
[Journal Article] Theoretical studies on electronic structures and chemical indices of the active site in oxygenated and deoxygenated hemerythrin2008
- Author(s)
  Y. Takano, H. Isobe, K. Yamaguchi
- Journal Title
  
  Bull. Chem. Soc. Jpn. 81
  
  Pages: 91-92
- NAID
  10020139464
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Cyclopropanecarboxylic Acid Esters as Porential Prodrugs with Enhanced Hydrolytic Stability2008
- Author(s)
  D. M., Bender, J. A., Peterson, J. R., McCarthy, H., Gunaydin, Y., Takano, K. N., Houk
- Journal Title
  
  Organic Letters 10 (3)
  
  Pages: 509-511
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Journal Article] A Theoretical Approach to a Novel Pathway of Proton Translocation of Cytochrome c Oxidase2008
- Author(s)
  Y. Takano, H. Nakamura
- Journal Title
  
  AIP Conf. Proc. 1046
  
  Pages: 60-63
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Theoretical investigation of the electronic assymetry of the special pair cation radical in the photosynthetic type-II reaction center2008
- Author(s)
  H. Yamasaki, Y. Takano, H. Nakamura
- Journal Title
  
  J. Phys. Chem. B 112
  
  Pages: 13923-13933
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Theoretical studies on electronic structures and chemical indices of the active site in oxygenated and deoxygenated hemerythrin2008
- Author(s)
  Yu Takano
- Journal Title
  
  Bulletin of Chemical Society of Japan 81
  
  Pages: 91-102
- NAID
  10020139464
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] A Theoretical Approach to a Novel Pathway of Proton Translocation of Cytochrome c Oxidase2008
- Author(s)
  Yu Takano
- Journal Title
  
  AIP Conf, Proc 1046
  
  Pages: 60-63
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Hybrid density functional study of ligand coordination effects on the magnetic couplings and the dioxygen binding of the models of hemocyanin.2007
- Author(s)
  Y., Takano
- Journal Title
  
  Interantional Journal of Quantum Chemistry 107
  
  Pages: 3103-3119
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18054013
[Journal Article] Hybrid density functional study of ligand coordination effects on the magnetic couplings and the dioxygen binding of the models of hemocyanin2007
- Author(s)
  Y. Takano, K. Yamaguchi
- Journal Title
  
  Int. J. Quant. Chem. 107
  
  Pages: 3103-3119
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Theoretical analysis of the electronic asymmetry of the special pair in the photosynthetic reaction center: Effect of the protein environment and structural asymmetry2007
- Author(s)
  H. Yamasaki, H. Nakamura, Y. Takano
- Journal Title
  
  Chem. Phys. Lett. 447
  
  Pages: 324-329
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Theory of chemical bonds in metalloenzymes. IX. Theoretical study on the active site of the ribonucleotide reductase and the related species2007
- Author(s)
  M. Shoji, H. Isobe, Y. Takano, Y. Kitagawa, S. Yamanaka, M. Okumura, K. Yamaguchi
- Journal Title
  
  Int. J. Quant. Chem. 107
  
  Pages: 3250-3265
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Hybrid density functional study of ligand coordination effects on the magnetic couplings and the dioxygen binding of the models of hemocyanin.2007
- Author(s)
  Yu Takano
- Journal Title
  
  International Journal of Quantum Chemistry 107
  
  Pages: 3103-3119
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Theoretical analysis of the electronic asymmetry of the special pair in the photosynthetic reaction center : Effect of the protein environment and structural asymmetry2007
- Author(s)
  H., Yamasaki, H., Nakamura, Y., Takano
- Journal Title
  
  Chemical Physics Letters 447 (4-6)
  
  Pages: 324-329
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Journal Article] Quantum mechanical study of the proton transfer via a peptide bond in the novel proton translocation pathway of cytochrome c oxidase.2006
- Author(s)
  Takano, Yu
- Journal Title
  
  Chemical Physics Letters 430
  
  Pages: 149-155
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18370063
[Journal Article] Quantum mechanical study of the proton transfer via a peptide bond in the novel proton translocation pathway of cytochrome c oxidase.2006
- Author(s)
  Y.Takano, H.Nakamura
- Journal Title
  
  Chemical Physics Letters Vol. 430, No. 1-3
  
  Pages: 149-155
- Data Source
  KAKENHI-PROJECT-18370063
[Journal Article] Quantum mechanical study of the proton transfer via a peptide bond in the novel proton translocation pathway of cytochrome c oxidase.2006
- Author(s)
  Takano, Y., Nakamura, H.
- Journal Title
  
  Chemical Physics Letters 430
  
  Pages: 149-155
- Data Source
  KAKENHI-PROJECT-18054013
[Journal Article] Quantum mechanical study of the proton transfer via a peptide bond in the novel proton translocation pathway of cytochrome c oxidase2006
- Author(s)
  Y., Takano, H., Nakamura
- Journal Title
  
  Chemical Physics Letters 430 (1-3)
  
  Pages: 149-155
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Journal Article] Quantum mechanical study of the proton transfer via a peptide bond in the novel proton translocation pathway of cytochrome c oxidase.2006
- Author(s)
  Yu Takano, Haruki Nakamura
- Journal Title
  
  Chemical Physics Letters 430
  
  Pages: 149-155
- Data Source
  KAKENHI-PROJECT-18750011
[Journal Article] Quantum mechanical study of the proton transfer via a peptide bond in the novel pathway of proton translocation of cytochrome c oxidase2006
- Author(s)
  Y. Takano, H. Nakamura
- Journal Title
  
  Chem. Phys. Lett. 430
  
  Pages: 149-155
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Analysis of structure-function correlation in the active sites of heme proteins2023
- Author(s)
  近藤寛子, 飯塚博幸, 舛本現, 兼松佑典, 鷹野優
- Organizer
  第61回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-23K05707
[Presentation] ヒスチジン二残基を軸配位子とするヘムbの分子力場パラメータの決定と検証2023
- Author(s)
  仲吉朝希・近藤寛子・酒井友紀菜・兼松佑典・新井博文・鷹野優
- Organizer
  第51回構造活性相関シンポジウム
- Data Source
  KAKENHI-PROJECT-22K06164
[Presentation] Depolarizing effects in hydrogen bond energy in 310-helices revealed by quantum chemical analysis2022
- Author(s)
  Yu Takano
- Organizer
  International Congress on Pure & Applied Chemistry Kota Kinabalu (ICPAC Kota Kinabalu 2022)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] Depolarizing effects in hydrogen bond energy in 310-helices revealed by quantum chemical analysis2022
- Author(s)
  Yu Takano, Hiroko X. Kondo, Haruki Nakamura
- Organizer
  International Congress on Pure & Applied Chemistry Yangon (ICPAC Kota Kinabalu) 2022
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K06164
[Presentation] Depolarizing effects in hydrogen bond energy in 310-helices revealed by quantum chemical analysis2022
- Author(s)
  Yu Takano, Hiroko X. Kondo, Haruki Nakamura
- Organizer
  International Congress on Pure & Applied Chemistry Kota Kinabalu
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Computational study of metal centers in proteins2022
- Author(s)
  Yu Takano
- Organizer
  10th Asian Biological Inorganic Chemistry Conference
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] 分子動力学法を用いた蛍光タンパク質の発光機構の計算科学的研究2021
- Author(s)
  坂井俊夫，鷹野優
- Organizer
  日本コンピュータ化学会2021秋季年会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] ヘムタンパク質における構造機能相関の解明に向けたタンパク質ポケットとヘムの歪みの相関解析2021
- Author(s)
  近藤寛子，飯塚博幸，舛本現，兼松佑典，鷹野優
- Organizer
  第21回日本蛋白質科学会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] F型アクチンのATP加水分解反応機構の理論解析2021
- Author(s)
  兼松佑典, 武田修一, 小池亮太郎, 太田元規, 鷹野優, 前田雄一郎
- Organizer
  第47回生体分子科学討論会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Computational study of the structural-function relationship of heme proteins2021
- Author(s)
  Yu Takano
- Organizer
  第59回日本生物物理学会年会シンポジウム「実験と理論の共同による生命金属動態研究の最前線」
- Invited
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] ヘム蛋白質における構造機能相関の解明に向けたヘム結合部位のタンパク質環境とヘムの歪みの相関解析2021
- Author(s)
  近藤寛子，飯塚博幸，舛本現，兼松佑典，鷹野優
- Organizer
  日本コンピュータ化学会2021年秋季年会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Computational study of the structural function relationship of heme proteins2021
- Author(s)
  Yu Takano, Hiroko X. Kondo, Yusuke Kanematsu
- Organizer
  第57回日本生物物理学会
- Invited
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] 第一原理計算によるカテキン類の酸化還元電位の理論予測2021
- Author(s)
  段煉，鷹野優，重田育照
- Organizer
  日本コンピュータ化学会2021秋季年会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] 計算科学によるヘム蛋白質活性中心の分子構造-電子状態-機能相関解析2021
- Author(s)
  鷹野優
- Organizer
  CBI学会2021年大会
- Invited
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] 計算科学による金属蛋白質活性中心の電子構造制御に関する研究－ヘムの構造歪みに関する構造機能相関－2021
- Author(s)
  鷹野優
- Organizer
  CBI学会フォーカストセッション「金属タンパク質解析における構造生物学と量子化学計算の融合」
- Invited
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] ヘムの構造歪みデータベースおよび解析ツールPyDISHの開発2020
- Author(s)
  鷹野優・近藤寛子・兼松佑典・舛本現
- Organizer
  日本コンピュータ化学会2020秋季年会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] PyDISH: Database and analysis tools for heme porphyrin distortion in heme proteins2020
- Author(s)
  鷹野優・近藤寛子・兼松佑典・舛本現
- Organizer
  第58回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Quantum chemical analysis of the hydrogen bond interactions in secondary structures of proteins with Negative Fragmentation Approach2020
- Author(s)
  Yu Takano, Hiroko X. Kondo, Haruki Nakamura
- Organizer
  The 60th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] ヘムタンパク質におけるヘム周囲のタンパク質環境とヘムの歪みの網羅解析2020
- Author(s)
  近藤寛子・藤井理則・谷岡卓磨・兼松佑典・吉田孝・鷹野優
- Organizer
  錯体化学会第70回討論会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Analysis of an effect of mutations on the structure of CDR-H3 in the anti-HIV neutralizing antibody PG162020
- Author(s)
  近藤寛子・桐林遼・黒田大祐・津本浩平・鷹野優
- Organizer
  第58回日本生物物理学会年会
- Invited
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Statistical and Quantum-chemical Analysis of the Effect of Heme Porphyrin Distortion in Heme Proteins: Differences between Oxidoreductases and Oxygen Carrier Proteins2019
- Author(s)
  Yu Takano, Yusuke Kanematsu, Hiroko X. Kondo, Yasuhiro Imada
- Organizer
  Symposium on 3D Active-site Science in London-3D Atomic-imaging Technologies from Material to Biology-
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular dynamics study of structural fluctuations in CDR-H3 of anti-HIV antibodies PG9 and PG162019
- Author(s)
  Naoki Tanabe, Ryo Kiribayashi, Hiroko X. Kondo, Daisuke Kuroda, Toru Saito, Jiro Kohda, Akimitsu Kugimiya, Yasuhisa Nakano, Kosuke Tsumoto, Yu Takano
- Organizer
  The 59th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a negative fragmentation approach2019
- Author(s)
  鷹野優・近藤寛子・草鹿あゆみ・山中秀介・中村春木
- Organizer
  第57回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a molecular tailoring approach2019
- Author(s)
  近藤寛子・草鹿あゆみ・中村春木・鷹野優
- Organizer
  第19回日本蛋白質科学会年会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Quantitative Assessment of Reparameterized PM6 (rPM6) for Hydrogen Atom Transfer Reactions2019
- Author(s)
  Toru Saito, Hiroki Kambara, Yu Takano
- Organizer
  The 59th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 計算科学による金属蛋白質活性中心の電子構造制御に関する研究-ヘムの構造歪みに関する構造機能相関-2019
- Author(s)
  鷹野優
- Organizer
  スーパーコンピュータワークショップ2018
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 分子シミュレーションによる生体活性サイトの構造・機能相関の解明2019
- Author(s)
  鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第9回成果報告会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a negative fragmentation approach2019
- Author(s)
  Yu Takano, Hiroko X. Kondo, Ayumi Kusaka, Shusuke Yamanaka, Haruki Nakamura
- Organizer
  International Congress on Pure & Applied Chemistry Yangon 2019
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Negative Fragmentation Approachを用いたタンパク質の二次構造における相互作用エネルギーの解析2019
- Author(s)
  近藤寛子・草鹿あゆみ・中村春木・鷹野優
- Organizer
  日本コンピュータ化学会2019秋季年会
- Data Source
  KAKENHI-PROJECT-19K06589
[Presentation] Molecular dynamics study of structural fluctuations in CDR-H3 of anti-HIV antibodies PG9 andツ?PG162019
- Author(s)
  Naoki Tanabe, Ryo Kiribayashi, Hiroko X. Kondo, Daisuke Kuroda, Toru Saito, Jiro Kohda, Akimitsu Kugimiya, Yasuhisa Nakano, Kosuke Tsumoto, Yu Takano
- Organizer
  The 59th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: differences between oxidoreductases and oxygen carrier proteins2018
- Author(s)
  Yusuke Kanematsu, Hiroko X. Kondo, Yasuhiro Imada, Yu Takano
- Organizer
  43rd International Conference on Coordination Chemistry (ICCC-2018 Sendai Japan)
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular dynamics study of structural fluctuations in CDR-H3 of anti-HIV antibodies PG9 and PG162018
- Author(s)
  Naoki Tanabe, Ryo Kiribayashi, Hiroko X. Kondo, Daisuke Kuroda, Toru Saito, Jiro Kohda, Akimitsu Kugimiya, Yasuhisa Nakano, Kosuke Tsumoto, Yu Takano
- Organizer
  Asian Biophysics Association Symposium in conjunction with the Australian Society for Biophysics Meeting (ABA-ASB)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] 分子シミュレーションによる生体活性サイトの構造・機能相関の解明2018
- Author(s)
  鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第7回成果報告会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 分子動力学法を用いた抗HIV中和抗体PG9とPG16の構造変化の比較2018
- Author(s)
  田邊直己・桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  第18回日本蛋白質科学会年会
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] αヘリックス構造における相互作用エネルギーの理論解析2018
- Author(s)
  近藤寛子・草鹿あゆみ・中村春木・鷹野優
- Organizer
  第32回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] ONIOM法によるF-actinのATP加水分解反応機構の解析2018
- Author(s)
  兼松佑典・鷹野優・武田修一・小池亮太郎・太田元規・前田雄一郎
- Organizer
  第8回３Ｄ活性サイト科学成果報告会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: differences between oxidoreductases and oxygen carrier proteins2018
- Author(s)
  Yusuke Kanematsu, Hiroko X. Kondo, Yasuhiro Imada, Yu Takano
- Organizer
  Asian Biophysics Association Symposium in conjunction with the Australian Society for Biophysics Meeting (ABA-ASB)
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] ONIOM法によるシアル酸転移酵素CstIIの反応機構解析2018
- Author(s)
  兼松佑典・浜田洋次郎・立川仁典・鷹野優
- Organizer
  第18回日本蛋白質科学会年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: .Differences between oxidoreductases and oxygen carrier proteins2018
- Author(s)
  Yu Takano
- Organizer
  International Congress on Pure & Applied Chemistry Langkawi (ICPAC Langkawi) 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Molecular dynamics study of structural changes in CDR-H3 of anti-HIV antibodies PG9 andツ?PG162018
- Author(s)
  田邊直己・桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  第56回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] 水の核磁気遮蔽定数に現れる水素原子核の量子効果2018
- Author(s)
  兼松佑典・立川仁典・鷹野優
- Organizer
  スーパーコンピュータワークショップ2017
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 多核金属錯体の高速電子状態計算2018
- Author(s)
  齋藤徹・鷹野優
- Organizer
  第8回３Ｄ活性サイト科学成果報告会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] The ATP hydrolysis mechanism of fibrous actin2018
- Author(s)
  Yusuke Kanematsu, Yu Takano, Shuichi Takeda, Ryotaro Koike, Motonori Ota, Yuichiro Maeda
- Organizer
  47th European Muscle Conference 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 水の分光スペクトルに現れる水素原子核の量子効果と温度効果2018
- Author(s)
  兼松佑典・立川仁典・鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第7回成果報告会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: .Differences between2018
- Author(s)
  Yu Takano
- Organizer
  International Congress on Pure & Applied Chemistry Langkawi (ICPAC Langkawi)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Presentation] 分子動力学シミュレーションによる抗HIV中和抗体PG16のCDR-H3の変異における構造への影響2018
- Author(s)
  桐林遼・近藤寛子・黒田大祐・香田次郎・齋藤徹・釘宮章光・中野靖久・津本浩平・鷹野優
- Organizer
  第5回生体分子科学研究会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Transition State Search Using rPM6 Method: Applications to Oxidation Reactions Catalyzed by Transition Metal Complexes2018
- Author(s)
  Toru Saito, Yu Takano
- Organizer
  43rd International Conference on Coordination Chemistry (ICCC-2018 Sendai Japan),
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] DMRG-CASCI法による三角格子スピンフラストレーション系の磁気的相互作用の解析2018
- Author(s)
  川上貴資・佐野慎亮・齋藤徹・庄司光男・山田悟・鷹野優・山中修介・奥村光隆・中嶋隆人・山口兆
- Organizer
  日本化学会第98春季年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 電子状態計算と統計解析によるヘムの構造歪みの構造機能相関2018
- Author(s)
  兼松佑典・近藤寛子・今田康博・鷹野優
- Organizer
  日本コンピュータ化学会2018秋季年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] ベイズ推定によるon-the-fly 構造重ね合わせと構造解析2018
- Author(s)
  米澤康滋・鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第7回成果報告会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 計算科学による金属蛋白質活性中心の電子構造制御に関する研究－ヘムの構造歪みに関する構造機能相関を例として－2018
- Author(s)
  鷹野優
- Organizer
  第31回生物無機化学夏季セミナー
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 半経験的分子軌道法を用いた高効率な遷移状態探索2018
- Author(s)
  齋藤徹・鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第7回成果報告会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] SiOx分子のグラフェンステップエッジへの吸着2018
- Author(s)
  前原洋祐・山﨑憲慈・兼松佑典・鷹野優・郷原一寿
- Organizer
  新学術領域「３Ｄ活性サイト科学」第7回成果報告会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 計算化学による含フッ素医薬品の設計2018
- Author(s)
  齋藤徹・鷹野優
- Organizer
  フルオラス科学研究会第11回シンポジウム
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Applications of the semi-empirical rPM6 method to chemical reactions-catalyzed by transition metal containing complexes2018
- Author(s)
  齋藤徹・鷹野優
- Organizer
  日本化学会第98春季年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 構造機能相関解析に向けたヘムタンパク質のデータベースの構築2018
- Author(s)
  近藤寛子・藤井理則・兼松佑典・今田康博・鷹野優・吉田孝
- Organizer
  第67回高分子討論会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Reaction Mechanism of Aromatic Oxidation Reactions by A Bis(mu-oxido)dinickel(III) Complex2018
- Author(s)
  高木優作・森本祐麻・齋藤徹・鷹野優・伊東忍
- Organizer
  日本化学会第98春季年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Reaction Properties of A Bis(mu-oxido)dinickel(III) Complex toward Aliphatic C–H Bonds2018
- Author(s)
  森本祐麻・高木優作・齋藤徹・鷹野優・伊東忍
- Organizer
  日本化学会第98春季年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 分子動力学シミュレーションによる抗HIV中和抗体PG16のCDR-H3の変異における構造への影響2018
- Author(s)
  桐林遼・近藤寛子・黒田大祐・香田次郎・齋藤徹・釘宮章光・中野靖久・津本浩平・鷹野優
- Organizer
  第5回生体分子科学研究会
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: .Differences between oxidoreductases and oxygen carrier proteins2018
- Author(s)
  Yu Takano
- Organizer
  International Congress on Pure & Applied Chemistry Langkawi (ICPAC Langkawi) 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 分子シミュレーションによる生体活性サイトの構造・機能相関の解明2018
- Author(s)
  鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第8回成果報告会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 半経験的分子軌道法rPM6の複核遷移金属錯体への適用2018
- Author(s)
  齋藤徹・鷹野優
- Organizer
  日本コンピュータ化学会2018秋季年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] コンピュータを使って金属タンパク質の活性サイトを観察・分類し、しくみを理解する2018
- Author(s)
  鷹野優
- Organizer
  北見工業大学バイオ情報学セミナー
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] ヘムの構造歪みの統計解析2017
- Author(s)
  今田康博・兼松佑典・近藤寛子・鷹野優
- Organizer
  錯体化学会第67回討論会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 分子動力学シミュレーションによる抗HIV中和抗体PG16のCDR-H3における構造剛性の解析2017
- Author(s)
  桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  第17回日本蛋白質科学会年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Statistical and quantum-chemical analysis of heme distortion in hemoprotein2017
- Author(s)
  Yasuhiro Imada, Yusuke Kanematsu, Hiroko Kondo, Yu Takano
- Organizer
  第55回日本生物物理学会年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Reparameterization of PM6 applied to through-bond and through-space magnetic interactions2017
- Author(s)
  Toru Saito, Yu Takano
- Organizer
  The 57th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular dynamics study of mutation effects on the neutralizing ability in CDR-H3 of an anti-HIV antibody PG162017
- Author(s)
  Ryo Kiribayashi、Hiroko X. Kondo、Daisuke Kuroda、Toru Saito、Jiro Kohda、Akimitsu Kugimiya、Yasuhisa Nakano、Yu Takano
- Organizer
  Swedish-Japanese Workshop on Nano-Structure Science by Novel Light Sources
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] Modification of semiempirical molecular orbital theory for computing diradical species2017
- Author(s)
  齋藤徹・鷹野優
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶應義塾大学日吉キャンパス
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Mn-O2-Mn構造での磁気的相互作用に関するDMRG-CASCI法およびQMC-CASCI法による解析2017
- Author(s)
  川上貴資・佐野慎亮・齋藤徹・庄司光男・山田悟・鷹野優・山中秀介・奥村光隆・中嶋隆人・山口兆
- Organizer
  錯体化学会第67回討論会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 電位依存性カリウムイオンチャネル変異体のシミュレーションおよび統計手法を用いたミクロ構造解析2017
- Author(s)
  近藤寛子・鷹野優・木下賢吾
- Organizer
  第17回日本蛋白質科学会年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] タンパク質中のヘムの歪みの統計解析とデータベース化への展望2017
- Author(s)
  兼松佑典・今田康博・近藤寛子・鷹野優
- Organizer
  第17回日本蛋白質科学会年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] MDシミュレーションによる抗HIV中和抗体PG16のCDR-H3における構造揺らぎの解析2017
- Author(s)
  桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶應義塾大学日吉キャンパス
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] Protein Data Bankから得られるヘムの構造歪みの統計解析2017
- Author(s)
  今田康博・兼松佑典・近藤寛子・鷹野優
- Organizer
  2017年日本化学会中国四国支部大会鳥取大会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular dynamics study of a distant mutation effect on the neutralizing ability in CDR-H3 of an anti-HIV antibody PG162017
- Author(s)
  Ryo Kiribayashi, Hiroko X. Kondo, Daisuke Kuroda, Toru Saito, Jiro Kohda, Akimitsu Kugimiya, Yasuhisa Nakano, Yu Takano
- Organizer
  第55回日本生物物理学会年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular dynamics study of a distant mutation effect on the neutralizing ability in CDR-H3 of an anti-HIV antibody PG162017
- Author(s)
  Ryo Kiribayashi、Hiroko X. Kondo、Daisuke Kuroda、Toru Saito、Jiro Kohda、Akimitsu Kugimiya、Yasuhisa Nakano、Yu Takano
- Organizer
  第55回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] Elucidation of Structure-Function Relationship of Biological Active Sites and New Material Design by Molecular Simulation2017
- Author(s)
  Yu Takano, Hiroshi Ishikita, Yasushige Yonezawa, Yasuteru Shigeta, Takahisa Yamato, Katsumasa Kamiya, Mitsuo Shoji, Toru Saito, Yusuke Kanematsu
- Organizer
  Swedish-Japanese Workshop on Nano-Structure Science by Novel Light Sources
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 半経験的分子軌道法を用いた生体模倣金属錯体の計算2017
- Author(s)
  齋藤徹・鷹野優
- Organizer
  錯体化学会第67回討論会
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] コンピュータシミュレーションでタンパク質のはたらきを理解する2017
- Author(s)
  鷹野優
- Organizer
  日本薬学会東海支部特別講演会
- Invited
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] Reparameterization of PM6 Parameters for Manganese and Applications to Binuclear Manganese Complexes2017
- Author(s)
  Toru Saito, Yu Takano
- Organizer
  WATOC2017
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] MDシミュレーションによる抗HIV中和抗体PG16のCDR-H3における構造揺らぎの解析2017
- Author(s)
  桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶應義塾大学日吉キャンパス
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] コンピュータを使って金属タンパク質の活性サイトを観察・分類し、しくみを理解する2017
- Author(s)
  鷹野優
- Organizer
  大阪大学大学院理学研究科化学専攻・高分子学専攻平成29年度第2回化学・高分子コロキウム講演会
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 電位依存性プロトンチャネルの機能・構造解析2017
- Author(s)
  岩城雅代, 神取秀樹, 近藤寛子, 米澤康滋, 鷹野優,岡村康司, 有馬大貴, 中川敦史
- Organizer
  CREST領域会議
- Data Source
  KAKENHI-PROJECT-15K07037
[Presentation] Molecular dynamics study of mutation effects on the neutralizing ability in CDR-H3 of an anti-HIV antibody PG162017
- Author(s)
  Ryo Kiribayashi, Hiroko X. Kondo, Daisuke Kuroda, Toru Saito, Jiro Kohda, Akimitsu Kugimiya, Yasuhisa Nakano, Yu Takano
- Organizer
  Swedish-Japanese Workshop on Nano-Structure Science by Novel Light Sources
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] MD法による抗HIV抗体PG16のCDR-H3の変異における中和能への影響の解析2017
- Author(s)
  桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  2017年日本化学会中国四国支部大会鳥取大会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] ヘムの分子構造が電子構造・酸化還元電位に与える影響2017
- Author(s)
  今田康博・中村春木・鷹野優
- Organizer
  第17回日本蛋白質科学会年会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular dynamics study of the structural stability of CDR-H3 of anti-HIV neutralizing antibody PG162017
- Author(s)
  Ryo Kiribayashi, Hiroko Kondo, Daisuke Kuroda, Toru Saito, Jiro Kohda, Akimitsu Kugimiya, Yasuhisa Nakano, Yu Takano
- Organizer
  The 57th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] コンピュータを使って金属タンパク質の活性サイトを観察・分類し、しくみを理解する2017
- Author(s)
  鷹野優
- Organizer
  大阪大学大学院理学研究科化学専攻・高分子学専攻平成29年度第2回化学・高分子コロキウム講演会
- Invited
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] Reparameterization of PM6 Parameters for Manganese and Applications to Binuclear Manganese Complexes2017
- Author(s)
  Toru Saito、Yu Takano
- Organizer
  WATOC2017
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] 電位依存性カリウムチャネル変異体の電位依存的な構造変化の解析2017
- Author(s)
  近藤寛子・鷹野優・木下賢吾
- Organizer
  第31回分子シミュレーション討論会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 分子動力学シミュレーションによる抗HIV中和抗体PG16のCDR-H3における構造剛性の解析2017
- Author(s)
  桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  第17回日本蛋白質科学会年会
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] Applications of the semi-empirical rPM6 method to chemical reactions-catalyzed by transition metal containing complexes2017
- Author(s)
  齋藤徹・鷹野優
- Organizer
  日本化学会第98春季年会
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] MD法による抗HIV抗体PG16のCDR-H3の変異における中和能への影響の解析2017
- Author(s)
  桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  2017年日本化学会中国四国支部大会鳥取大会
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] Mn-O2-Mn構造での磁気的相互作用に関するDMRG-CASCI法およびQMC-CASCI法による解析2017
- Author(s)
  川上貴資・佐野慎亮・齋藤徹・庄司光男・山田悟・鷹野優・山中秀介・奥村光隆・中嶋隆人・山口兆
- Organizer
  第11回分子科学討論会2017仙台
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] コンピュータシミュレーションでタンパク質のはたらきを理解する2017
- Author(s)
  鷹野優
- Organizer
  日本薬学会東海支部特別講演会
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 半経験的分子軌道法を用いた生体模倣金属錯体の計算2017
- Author(s)
  齋藤徹・鷹野優
- Organizer
  錯体化学会第67回討論会
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 水の核磁気遮蔽定数に現れる水素原子核の量子効果2017
- Author(s)
  兼松佑典・立川仁典・鷹野優
- Organizer
  第11回分子科学討論会2017仙台
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 電位依存性プロトンチャネルVSOP/Hv1の電場中での動態の解析2017
- Author(s)
  近藤寛子，米澤康滋，宮下尚之，岩城雅代，竹下浩平，藤原祐一郎，城田松之，木下賢吾，岡村康司，中川敦史，神取秀樹，鷹野優
- Organizer
  第55回生物物理学会年会
- Invited
- Data Source
  KAKENHI-PROJECT-15K07037
[Presentation] 光化学系IIの水素結合に現れるH/D同位体効果2016
- Author(s)
  兼松佑典・立川仁典・鷹野優
- Organizer
  第16回日本蛋白質科学会年会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 分子動力学シミュレーションによる抗HIV中和抗体PG16のCDR-H3における構造安定性の解析2016
- Author(s)
  桐林遼・近藤寛子・黒田大祐・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  第16回日本蛋白質科学会年会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] タンパク質の二次構造に働く相互作用の理論解析2016
- Author(s)
  鷹野優
- Organizer
  大阪大学蛋白質研究所セミナー
- Place of Presentation
  東京大学先端科学技術研究センター（東京都、目黒区）
- Year and Date
  2016-03-01
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Pd-porphycene錯体のグラフェン吸着の理論解析2016
- Author(s)
  兼松佑典・鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第3回成果報告会
- Place of Presentation
  名古屋工業大学（愛知県・名古屋市）
- Year and Date
  2016-03-08
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular dynamics study of the structural rigidity of CDR-H3 of anti-HIV neutralizing antibody PG162016
- Author(s)
  桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  2016年日本化学会中国四国支部大会香川大会
- Place of Presentation
  香川大学幸町キャンパス
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] 開殻分子が関与する化学反応の機構解明に向けた手法開発とその応用2016
- Author(s)
  齋藤徹・北河康隆・鷹野優
- Organizer
  2016年日本化学会中国四国支部大会香川大会
- Place of Presentation
  香川大学幸町キャンパス
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 脂質二重膜におけるPI(4,5)P2の安定性の解析2016
- Author(s)
  近藤寛子,米澤康滋, 木下賢吾,鷹野優
- Organizer
  分子シミュレーション討論会
- Place of Presentation
  大阪府豊中市　大阪大学豊中キャンパス
- Year and Date
  2016-11-30
- Data Source
  KAKENHI-PROJECT-15K07037
[Presentation] Pd-porphycene錯体のグラフェン吸着の理論解析2016
- Author(s)
  兼松佑典・鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第3回成果報告会
- Place of Presentation
  名古屋工業大学（愛知県・名古屋市）
- Year and Date
  2016-03-08
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Photoactive Yellow Proteinの構造と分光スペクトルに現れるH/D同位体効果2016
- Author(s)
  兼松佑典・立川仁典・鷹野優
- Organizer
  日本化学会第96春季年会
- Place of Presentation
  同志社大学（京都府、京田辺市）
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Photoactive Yellow Proteinの構造と分光スペクトルに現れるH/D同位体効果2016
- Author(s)
  兼松佑典・立川仁典・鷹野優
- Organizer
  日本化学会第96春季年会
- Place of Presentation
  同志社大学（京都府、京田辺市）
- Year and Date
  2016-03-27
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular dynamics study of the structural rigidity of CDR-H3 of anti-HIV neutralizing antibody PG162016
- Author(s)
  Ryo Kiribayashi, Hiroko X. Kondo, Daisuke Kuroda, Toru Saito, Jiro Kohda, Akimitsu Kugimiya, Yasuhisa Nakano, Yu Takano
- Organizer
  第54回日本生物物理学会年会
- Place of Presentation
  つくば国際会議場
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] 光合成系IIに現れるH/D同位体効果の理論解析2016
- Author(s)
  兼松佑典・鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第3回成果報告会
- Place of Presentation
  名古屋工業大学（愛知県、名古屋市）
- Year and Date
  2016-03-08
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] レアイベント探索手法で探求するタンパク質フォールディングの普遍性2016
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  第16回日本蛋白質科学会年会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 光合成系IIに現れるH/D同位体効果の理論解析2016
- Author(s)
  兼松佑典・鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第3回成果報告会
- Place of Presentation
  名古屋工業大学（愛知県、名古屋市）
- Year and Date
  2016-03-08
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular Tailoring Approachを用いたαヘリックスに働く相互作用の量子化学的解析2016
- Author(s)
  鷹野優・草鹿あゆみ・中村春木
- Organizer
  第16回日本蛋白質科学会年会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular Tailoring Approachを用いたαヘリックスに働く相互作用の量子化学的解析2016
- Author(s)
  鷹野優・草鹿あゆみ・中村春木
- Organizer
  第16回日本蛋白質科学会年会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PROJECT-16K07325
[Presentation] 開殻分子に対する半経験的分子軌道法の評価と改善2016
- Author(s)
  齋藤徹・北河康隆・鷹野優
- Organizer
  第10回分子科学討論会2016神戸
- Place of Presentation
  神戸ファッションマート
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 反応座標自動検知法を用いたタンパク質の折りたたみ経路解析2016
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  新学術領域「３Ｄ活性サイト科学」第3回成果報告会
- Place of Presentation
  名古屋工業大学（愛知県・名古屋市）
- Year and Date
  2016-03-08
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] A detailed analysis of the binding mode of a zinc ion to the voltage-gated proton channel VSOP/Hv12016
- Author(s)
  近藤寛子・岩城雅代・兼松佑典・城田松之・米澤康滋・木下賢吾・神取秀樹・鷹野優
- Organizer
  日本生物物理学会
- Place of Presentation
  茨城県つくば市　つくば国際会議場
- Year and Date
  2016-11-27
- Data Source
  KAKENHI-PROJECT-15K07037
[Presentation] Statistical analysis of heme distortion in protein2016
- Author(s)
  Yasuhiro Imada, Yusuke Kanematsu, Hiroko Kondo, Yu Takano
- Organizer
  第54回日本生物物理学会年会
- Place of Presentation
  つくば国際会議場
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 計算科学による金属タンパク質の活性中心の電子構造制御に関する研究2016
- Author(s)
  鷹野優
- Organizer
  日本物理学会2016年秋季大会
- Place of Presentation
  金沢大学角間キャンパス
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 脂質二重膜におけるPI(4,5)P2の安定性の解析2016
- Author(s)
  近藤寛子・米澤康滋・木下賢吾・鷹野優
- Organizer
  分子シミュレーション討論会
- Place of Presentation
  大阪大学
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 分子動力学シミュレーションによる抗HIV中和抗体PG16のCDR-H3における構造安定性の解析2016
- Author(s)
  桐林遼・近藤寛子・黒田大祐・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  第16回日本蛋白質科学会年会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Elucidation of structure-function relationship of biological active sites by molecular simulation2016
- Author(s)
  Yu Takano, Yusuke Kanematsu, Yasuhiro Imada
- Organizer
  第54回日本生物物理学会年会
- Place of Presentation
  つくば国際会議場
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular dynamics study of the structural rigidity of CDR-H3 of anti-HIV neutralizing antibody PG162016
- Author(s)
  桐林遼・近藤寛子・黒田大祐・齋藤徹・香田次郎・釘宮章光・中野靖久・鷹野優
- Organizer
  2016年日本化学会中国四国支部大会香川大会
- Place of Presentation
  香川大学幸町キャンパス
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] タンパク質の二次構造に働く相互作用の理論解析2016
- Author(s)
  鷹野優
- Organizer
  大阪大学蛋白質研究所セミナー
- Place of Presentation
  東京大学先端科学技術研究センター（東京都、目黒区）
- Year and Date
  2016-03-01
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 反応座標自動検知法を用いたタンパク質の折りたたみ経路解析2016
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  新学術領域「３Ｄ活性サイト科学」第3回成果報告会
- Place of Presentation
  名古屋工業大学（愛知県・名古屋市）
- Year and Date
  2016-03-08
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 蛋白質環境がシトクロムc3のヘムの電子構造に与える影響の計算科学的研究2016
- Author(s)
  今田康博・中村春木・鷹野優
- Organizer
  第16回日本蛋白質科学会年会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular Tailoring Approachによるタンパク質の二次構造に働く相互作用の量子化学的解析2016
- Author(s)
  鷹野優
- Organizer
  第3回生命分子科学研究会
- Place of Presentation
  鹿の湯（北海道、札幌市）
- Year and Date
  2016-03-15
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Molecular dynamics study of the structural rigidity of CDR-H3 of anti-HIV neutralizing antibody PG162016
- Author(s)
  Ryo Kiribayashi, Hiroko X. Kondo, Daisuke Kuroda, Toru Saito, Jiro Kohda, Akimitsu Kugimiya, Yasuhisa Nakano, Yu Takano
- Organizer
  第54回日本生物物理学会年会
- Place of Presentation
  つくば国際会議場
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular Tailoring Approachによるタンパク質の二次構造に働く相互作用の量子化学的解析2016
- Author(s)
  鷹野優
- Organizer
  第3回生命分子科学研究会
- Place of Presentation
  鹿の湯（北海道、札幌市）
- Year and Date
  2016-03-15
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] タンパク質の二次構造に働く相互作用の理論解析2015
- Author(s)
  鷹野優
- Organizer
  第52回量子物理化学セミナー
- Place of Presentation
  横浜市立大学（神奈川県横浜市）
- Year and Date
  2015-02-06
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Quantum chemical study for interactions in protein secondary structures via Molecular Tailoring2015
- Author(s)
  草鹿あゆみ・中村春木・鷹野優
- Organizer
  第53回日本生物物理学会
- Place of Presentation
  金沢大学角間キャンパス（石川県、金沢市）
- Year and Date
  2015-09-13
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] ONIOM(MC_QM:MM)によるPhotoactive Yellow Proteinの UV/Visスペクトルに現れるH/D同位体効果の理論的解析2015
- Author(s)
  兼松佑典・立川仁典・鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第2回成果報告会
- Place of Presentation
  筑波京成ホテル（茨城県、つくば市）
- Year and Date
  2015-09-04
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] ヘムの構造歪みの電子構造への影響に関する理論的研究2015
- Author(s)
  今田康博、中村春木、鷹野優
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学大学院基礎工学研究科（大阪府・豊中市）
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 逆状態分布に基づく効率的タンパク質構造サンプリング手法の開発2015
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ（新潟県、新潟市）
- Year and Date
  2015-11-30
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Molecular dynamics simulations of the effect of zinc on the voltage-gated proton channel VSOP2015
- Author(s)
  近藤寛子, 城田松之, 米澤康滋, 鷹野優, 木下賢吾
- Organizer
  第53回日本生物物理学会年会
- Place of Presentation
  金沢大学（石川県金沢市）
- Year and Date
  2015-09-15
- Invited
- Data Source
  KAKENHI-PROJECT-15K07037
[Presentation] “タンパク質の二次構造に働く相互作用の理論解析”2015
- Author(s)
  鷹野優
- Organizer
  第52回量子物理化学セミナー
- Place of Presentation
  横浜市立大学（神奈川県横浜市）
- Year and Date
  2015-02-06
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Theoretical study of the relationship between heme distortion and redox potential2015
- Author(s)
  Yu Takano, Yasuhiro Imada
- Organizer
  第53回日本生物物理学会
- Place of Presentation
  金沢大学角間キャンパス（石川県、金沢市）
- Year and Date
  2015-09-13
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Simple, yet powerful conformational sampling methodologies for proteins2015
- Author(s)
  Ryuhei Harada, Yu Takano, Yasuteru Shigeta
- Organizer
  Pacifichem2015
- Place of Presentation
  Hawaii Convention Center （USA)
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Quantum chemical study for interactions in protein secondary structures via Molecular Tailoring Approach2015
- Author(s)
  草鹿あゆみ・中村春木・鷹野優
- Organizer
  第53回日本生物物理学会
- Place of Presentation
  金沢大学角間キャンパス（石川県、金沢市）
- Year and Date
  2015-09-15
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular Tailoring Approachによるタンパク質の二次構造に働く相互作用の理論解析2015
- Author(s)
  鷹野優、草鹿あゆみ、中村春木
- Organizer
  第15回日本蛋白質科学会年会
- Place of Presentation
  あわぎんホール（徳島県、徳島市）
- Year and Date
  2015-06-24
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Computational Study of the Relationship between Heme Distortion and Redox Potential2015
- Author(s)
  Yu Takano, Yasuhiro Imada, Haruki Nakamura
- Organizer
  588. WE-Heraeus-Seminar on Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer
- Place of Presentation
  Physikzentrum Bad Honnef（Bad Honnef, Germany）
- Year and Date
  2015-04-23
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Theoretical Analysis of the Electronic Asymmetry of the Special Pair Cation Radical in the Photosynthetic Reaction Center2015
- Author(s)
  Yu Takano
- Organizer
  6th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Congress Center of the Slovak Academy of Sciences（Bratislava, Slovakia）
- Year and Date
  2015-10-15
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 逆状態分布に基づく効率的タンパク質構造サンプリング手法の開発2015
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ（新潟県、新潟市）
- Year and Date
  2015-12-01
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 生体活性サイトの構造・機能相関の解明とデザインに向けた分子技術の開発2015
- Author(s)
  鷹野優
- Organizer
  計算科学勉強会
- Place of Presentation
  大阪大学中之島センター（大阪府大阪市）
- Year and Date
  2015-02-21
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] X-ray fluorescence holographic study on high-temperature superconductor FeSe0.4Te0.62015
- Author(s)
  Y. Ideguchi, K. Kamimura, K. Kimura, S. Hosokawa, N. Happo, K. Hayashi, Y. Ebisu, T. Ozaki, J. R. Stellhorn, M. Suzuki, H. Okazaki, A. Yamashita, and Y. Takano
- Organizer
  10th International Symposium on Atomic Level Characterizations for New Materials and Devices
- Place of Presentation
  くにびきメッセ（島根県・松江市）
- Year and Date
  2015-10-25
- Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Molecular Tailoring Approachによるαヘリックスに働く相互作用の量子化学的研究2015
- Author(s)
  草鹿あゆみ、中村春木、鷹野優
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学大学院基礎工学研究科（大阪府・豊中市）
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Photoactive Yellow Proteinに現れるH/D同位体効果の理論的解析2015
- Author(s)
  兼松佑典・鷹野優・立川仁典
- Organizer
  第9回分子科学討論会2015東京
- Place of Presentation
  東京工業大学大岡山キャンパス（東京都、目黒区）
- Year and Date
  2015-09-17
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Theoretical Analysis of the Electronic Asymmetry of the Special Pair Cation Radical in the Photosynthetic Reaction Center2015
- Author(s)
  Yu Takano
- Organizer
  6th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Bratislava(Slovakia）
- Year and Date
  2015-10-11
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Theoretical analysis of H/D isotope effect on Photoactive Yellow Protein2015
- Author(s)
  兼松佑典・鷹野優・立川仁典
- Organizer
  第53回日本生物物理学会
- Place of Presentation
  金沢大学角間キャンパス（石川県、金沢市）
- Year and Date
  2015-09-13
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular Tailoring Approachによる二次構造に働く相互作用の量子化学的解析2015
- Author(s)
  鷹野優・草鹿あゆみ・中村春木
- Organizer
  第9回分子科学討論会2015東京
- Place of Presentation
  東京工業大学大岡山キャンパス（東京都、目黒区）
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] ヘムの歪みによる酸化還元電位への影響に関する計算科学的研究2015
- Author(s)
  鷹野優・今田康博・中村春木
- Organizer
  スーパーコンピュータワークショップ2015「様々な対象に応用される計算分子科学」
- Place of Presentation
  自然科学研究機構　岡崎コンファレンスセンター（愛知県岡崎市）
- Year and Date
  2015-01-29
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Photoactive Yellow Proteinに現れるH/D同位体効果の理論的解析2015
- Author(s)
  兼松佑典・鷹野優・立川仁典
- Organizer
  第9回分子科学討論会2015東京
- Place of Presentation
  東京工業大学大岡山キャンパス（東京都、目黒区）
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] へムの構造歪みが酸化還元電位に与える影響の計算科学的研究2015
- Author(s)
  今田康博・中村春木・鷹野優
- Organizer
  第15回日本蛋白質科学会年会
- Place of Presentation
  あわぎんホール（徳島県、徳島市）
- Year and Date
  2015-06-24
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Computational Study of the Relationship between Heme Distortion and Redox Potential2015
- Author(s)
  Yu Takano, Yasuhiro Imada, Haruki Nakamura
- Organizer
  588. WE-Heraeus-Seminar on Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer
- Place of Presentation
  Bad Honnef(Germany)
- Year and Date
  2015-04-26
- Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] へムの構造歪みが酸化還元電位に与える影響の計算科学的研究2015
- Author(s)
  今田康博・中村春木・鷹野優
- Organizer
  第15回日本蛋白質科学会年会
- Place of Presentation
  あわぎんホール（徳島県、徳島市）
- Year and Date
  2015-06-24
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 生体活性サイトの構造・機能相関の解明とデザインに向けた分子技術の開発2015
- Author(s)
  鷹野優
- Organizer
  計算科学勉強会
- Place of Presentation
  大阪大学中之島センター（大阪府大阪市）
- Year and Date
  2015-02-21
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] ONIOM(MC_QM:MM)によるPhotoactive Yellow Proteinの UV/Visスペクトルに現れるH/D同位体効果の理論的解析2015
- Author(s)
  兼松佑典・立川仁典・鷹野優
- Organizer
  新学術領域「３Ｄ活性サイト科学」第2回成果報告会
- Place of Presentation
  筑波京成ホテル（茨城県、つくば市）
- Year and Date
  2015-09-04
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] ヘムの構造歪みの電子構造への影響に関する理論的研究2015
- Author(s)
  今田康博、中村春木、鷹野優
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学大学院基礎工学研究科（大阪府・豊中市）
- Year and Date
  2015-05-21
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] ヘムタンパク質にみられるヘムの分子構造-電子構造-機能相関2015
- Author(s)
  鷹野優・今田康博
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ（新潟県、新潟市）
- Year and Date
  2015-12-01
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Theoretical analysis of H/D isotope effect on Photoactive Yellow Protein2015
- Author(s)
  兼松佑典・鷹野優・立川仁典
- Organizer
  第53回日本生物物理学会
- Place of Presentation
  金沢大学角間キャンパス（石川県、金沢市）
- Year and Date
  2015-09-13
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] X-ray fluorescence holographic study on high-temperature superconductor FeSe0.4Te0.62015
- Author(s)
  S. Hosokawa, Y. Ideguchi, K. Kamimura, N. Happo, K. Hayashi, Y. Ebisu, T. Ozaki, J. R. Stellhorn, M. Suzuki, H. Okazaki, A. Yamashita, and Y. Takano
- Organizer
  588. WE-Heraeus Seminar “Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer Scales using modern X-Ray and Neutron Techniques”
- Place of Presentation
  Bad Honnef (Germany)
- Year and Date
  2015-04-26
- Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] レアイベント探索手法 ”OFLOOD” で解き明かすタンパク質フォールディング機構2015
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  第15回日本蛋白質科学会年会
- Place of Presentation
  あわぎんホール（徳島県、徳島市）
- Year and Date
  2015-06-24
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 生体活性サイトの機能解明に向けた分子計算技術の開発2015
- Author(s)
  米澤康滋・鷹野優
- Organizer
  新学術領域「3D活性サイト科学」第1回成果報告会
- Place of Presentation
  国際高等研究所（京都府木津川市）
- Year and Date
  2015-03-14
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular Tailoring Approachによるαヘリックスに働く相互作用の量子化学的研究2015
- Author(s)
  草鹿あゆみ、中村春木、鷹野優
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学大学院基礎工学研究科（大阪府・豊中市）
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] レアイベント探索手法 ”OFLOOD” で解き明かすタンパク質フォールディング機構2015
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  第15回日本蛋白質科学会年会
- Place of Presentation
  あわぎんホール（徳島県、徳島市）
- Year and Date
  2015-06-25
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] タンパク質の機能発現に関わるレアイベント抽出のための効率的構造サンプリング手法2015
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  新学術領域「3D活性サイト科学」第1回成果報告会
- Place of Presentation
  国際高等研究所（京都府木津川市）
- Year and Date
  2015-03-14
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Computational Study of Structural Effects on Redox Potential of Hemes2015
- Author(s)
  今田康博・中村春木・鷹野優
- Organizer
  第53回日本生物物理学会
- Place of Presentation
  金沢大学角間キャンパス（石川県、金沢市）
- Year and Date
  2015-09-13
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] ヘムタンパク質にみられるヘムの分子構造-電子構造-機能相関2015
- Author(s)
  鷹野優・今田康博
- Organizer
  第29回分子シミュレーション討論会
- Place of Presentation
  朱鷺メッセ（新潟県、新潟市）
- Year and Date
  2015-11-30
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Computational Study of Structural Effects on Redox Potential of Hemes2015
- Author(s)
  今田康博・中村春木・鷹野優
- Organizer
  第53回日本生物物理学会
- Place of Presentation
  金沢大学角間キャンパス（石川県、金沢市）
- Year and Date
  2015-09-13
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Simple, yet powerful conformational sampling methodologies for proteins2015
- Author(s)
  Ryuhei Harada, Yu Takano, Yasuteru Shigeta
- Organizer
  Pacifichem2015
- Place of Presentation
  Hawaii Convention Center
- Year and Date
  2015-12-19
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Theoretical study of the relationship between heme distortion and redox potential2015
- Author(s)
  Yu Takano, Yasuhiro Imada
- Organizer
  第53回日本生物物理学会
- Place of Presentation
  金沢大学角間キャンパス（石川県、金沢市）
- Year and Date
  2015-09-13
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular Tailoring Approachによるタンパク質の二次構造に働く相互作用の理論解析2015
- Author(s)
  鷹野優、草鹿あゆみ、中村春木
- Organizer
  第15回日本蛋白質科学会年会
- Place of Presentation
  あわぎんホール（徳島県、徳島市）
- Year and Date
  2015-06-24
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Molecular Tailoring Approachによる二次構造に働く相互作用の量子化学的解析2015
- Author(s)
  鷹野優・草鹿あゆみ・中村春木
- Organizer
  第9回分子科学討論会2015東京
- Place of Presentation
  東京工業大学大岡山キャンパス（東京都、目黒区）
- Year and Date
  2015-09-19
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 密度汎関数法による遷移金属蛋白質活性中心の構造・反応探索における問題-チロシナーゼ活性中心モデルを例として-2014
- Author(s)
  鷹野優
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア2014」
- Place of Presentation
  広島大学（広島県東広島市）
- Year and Date
  2014-09-20
- Invited
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] タンパク質レアイベント抽出のための効率的構造サンプリング手法2014
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  第28回分子シミュレーション討論会
- Place of Presentation
  仙台市民会館（宮城県仙台市）
- Year and Date
  2014-11-12
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 密度汎関数法による遷移金属蛋白質活性中心の構造・反応探索における問題ーチロシナーゼ活性中心モデルを例としてー2014
- Author(s)
  鷹野優
- Organizer
  化学反応経路探索のニューフロンティア2014
- Place of Presentation
  広島大学東広島キャンパス学士会館
- Year and Date
  2014-09-20
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] 生体高分子生化学的機能解析のための並列古典/量子力学連成分子動力学シミュレーションプログラムの開発2014
- Author(s)
  米澤康滋・鷹野優・中田一人・山中秀介・中村春木
- Organizer
  第1回「3D活性サイト科学」公開ワークショップ
- Place of Presentation
  CIVI研修センター新大阪東（大阪府大阪市）
- Year and Date
  2014-11-21
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] シトクロムc3中のヘムの歪みによる酸化還元電位への影響に関する計算科学的研究2014
- Author(s)
  今田康博・中村春木・鷹野優
- Organizer
  第4回CSJ化学フェスタ2014
- Place of Presentation
  タワーホール船堀（東京都江戸川区）
- Year and Date
  2014-10-14
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] Theoretical analysis of molecular interactions in secondary structures of proteins2014
- Author(s)
  鷹野優・草鹿あゆみ・中村春木
- Organizer
  第52回生物物理学会年会
- Place of Presentation
  札幌コンベンションセンター
- Year and Date
  2014-09-27
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] “密度汎関数法による遷移金属蛋白質活性中心の構造・反応探索における問題－チロシナーゼ活性中心モデルを例として－2014
- Author(s)
  鷹野優
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア2014」
- Place of Presentation
  広島大学東広島キャンパス（広島県広島市）
- Year and Date
  2014-09-20
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Density functional study of local and nonlocal molecular interactions in secondary structure2014
- Author(s)
  Takano Y, Nakamura H
- Organizer
  54th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort, Georgia, USA
- Year and Date
  2014-02-18
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] 蛋白質の二次構造に関わる相互作用の理論解析2014
- Author(s)
  鷹野優・草鹿あゆみ・中村春木
- Organizer
  第8回分子科学討論会2014東広島
- Place of Presentation
  広島大学東広島キャンパス
- Year and Date
  2014-09-22
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] ヘムタンパク質中のヘムの分子構造-電子構造-機能相関2014
- Author(s)
  鷹野優・今田康博・中村春木
- Organizer
  第1回「3D活性サイト科学」公開ワークショップ
- Place of Presentation
  CIVI研修センター新大阪東（大阪府大阪市）
- Year and Date
  2014-11-21
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 蛋白質の二次構造形成に関わる相互作用に関する理論的研究2014
- Author(s)
  鷹野優・中村春木
- Organizer
  第14回日本蛋白質科学会年会
- Place of Presentation
  ワークピア横浜／横浜産貿ホール　マリネリア
- Year and Date
  2014-06-26
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] Density functional study of molecular interactions in secondary structures of proteins2014
- Author(s)
  Takano Y, Nakamura H
- Organizer
  The 4th Asia Pacific Protein Association (APPA) Conference
- Place of Presentation
  ICC Jeju, Korea
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] 二次構造形成に関する局所および非局所相互作用に関する計算化学的研究2014
- Author(s)
  鷹野優, 中村春木
- Organizer
  スーパーコンピュータ・ワークショップ2013
- Place of Presentation
  自然科学研究機構・岡崎コンファレンスセンター(岡崎市)
- Year and Date
  2014-01-21
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] Quantum chemical study of intra- and inter- molecular interactions in secondary structures2013
- Author(s)
  鷹野優, 中村春木
- Organizer
  第51回日本生物物理学会年会
- Place of Presentation
  京都国際会議場(京都市)
- Year and Date
  2013-10-28
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] 電子伝達に働くCuA部位の分子構造－電子構造相関の理論的研究2013
- Author(s)
  鷹野優・奥山折緒・重田育照・中村春木
- Organizer
  日本化学会第93回春季年会
- Place of Presentation
  立命館大学
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 電子伝達部位CuAの分子構造－電子構造相関の理論的研究2013
- Author(s)
  鷹野　優
- Organizer
  日本化学会第93回春季年会
- Place of Presentation
  立命館大学
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] Theoretical study of local- and nonlocal-molecular interactions in secondary structures2013
- Author(s)
  Yu Takano, Haruki Nakamura
- Organizer
  5th JCS (Japan, Czech, Slovakia) International Symposium on Theoretical Chemistry
- Place of Presentation
  東大寺総合文化センター（奈良市）
- Invited
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] Platypus-QM/MMの開発と応用2013
- Author(s)
  鷹野優
- Organizer
  ISLiMソフトウェア研究開発報告会
- Place of Presentation
  東京大学
- Invited
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 電子伝達部位CuAの分子構造－電子構造－機能相関2013
- Author(s)
  鷹野優・奥山折緒・重田育照・中村春木
- Organizer
  スーパーコンピュータワークショップ2013
- Place of Presentation
  自然科学研究機構　岡崎コンファレンスセンター
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] Theoretical study of local- and nonlocal- molecular interactions in secondary structures2013
- Author(s)
  Takano Y, Nakamura H
- Organizer
  5th JCS (Japan, Czech, Slovakia) International Symposium on Theoretical Chemistry
- Place of Presentation
  東大寺総合文化センター(奈良市)
- Invited
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] Density functional study of the phosphodiester hydrolysis of RNA in RNA/DNA hybrid by RNase H2013
- Author(s)
  Makoto Kita, Haruki Nakamura, Yu Takano
- Organizer
  53th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf Beach Resort, Georgia, USA
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 電子伝達部位CuAの分子構造－電子構造相関ー理論計算による機能性遷移金属蛋白質の演繹的デザインを目指してー2013
- Author(s)
  鷹野　優
- Organizer
  第42回三重大学CUTEセミナー
- Place of Presentation
  三重大学
- Invited
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] 電子伝達部位CuAの分子構造－電子構造相関ー理論計算による機能性遷移金属蛋白質の演繹的デザインを目指してー2013
- Author(s)
  鷹野優
- Organizer
  第42回三重大学CUTEセミナー
- Place of Presentation
  三重大学
- Invited
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] Density functional studies of the structural variety of the Cu_2S_2 core of the Cu_A site2012
- Author(s)
  Yu Takano, Orio Okuyama, Yasuteru Shigeta, Haruki Nakamura
- Organizer
  52th Sanibel Symposium
- Place of Presentation
  アメリカジョージア州
- Year and Date
  2012-02-20
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] Density functional study of conformational preference of intermediates and transition states in the alkaline hydrolysis of dimethyl phosphate2012
- Author(s)
  Yu Takano, Makoto Kita, Haruki Nakamura
- Organizer
  Conference on computational physics 2012
- Place of Presentation
  Nichii Gakkan
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 電子伝達に働くCuA部位の電子構造に関する理論的研究2012
- Author(s)
  鷹野優・奥山折緒・重田育照・中村春木
- Organizer
  第12回日本蛋白質科学会年会
- Place of Presentation
  名古屋国際会議場
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 電子伝達部位CuAの分子構造－電子構造相関の理論的研究2012
- Author(s)
  鷹野優・奥山折緒・重田育照・中村春木
- Organizer
  第6回分子科学討論会2012東京
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] パープル銅タンパク質のde novo設計2012
- Author(s)
  龜井美里・志賀大悟・舩橋靖博・増田秀樹・野田勝紀・内山進・福井希一・田嶋邦彦・菊地晶裕・鷹野優・中村春木・田中俊樹
- Organizer
  第12回蛋白質科学会
- Place of Presentation
  名古屋国際会議場
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 電子伝達に働くCuA部位の電子構造に関する理論的研究2012
- Author(s)
  鷹野　優
- Organizer
  第12回日本蛋白質科学会年会
- Place of Presentation
  名古屋国際会議場
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] シトクロムc酸化酵素中のCu_A部位の電子構造に関する理論的研究2012
- Author(s)
  鷹野優, 奥山折緒, 重田育照, 中村春木
- Organizer
  スーパーコンピュータワークショップ2012「バイオサイエンスに対する計算分子科学からのアプローチ
- Place of Presentation
  自然科学研究機構岡崎コンファレンスセンター
- Year and Date
  2012-01-24
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] Computational study of the relationship between the molecular and electronic structures of the CuA site2012
- Author(s)
  Yu Takano, Orio Okuyama, Yasuteru Shigeta, Haruki Nakamura
- Organizer
  International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
- Place of Presentation
  Osaka University
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 電子伝達部位CuAの分子構造－電子構造相関2012
- Author(s)
  鷹野　優
- Organizer
  第62回錯体化学討論会
- Place of Presentation
  富山大学
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] 分子環境を記述するためのPCM（分極連続体モデル）の使い方と金属蛋白質活性中心への適用2012
- Author(s)
  鷹野優
- Organizer
  第13回大つくば物理化学セミナー
- Place of Presentation
  城西大学鋸南セミナーハウス
- Invited
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 電子伝達部位CuAの分子構造－電子構造相関の理論的研究2012
- Author(s)
  鷹野　優
- Organizer
  第6回分子科学討論会2012東京
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] 新規設計コイルドコイルタンパク質にヘモシアニン銅サイトを構築する試み2012
- Author(s)
  安部雅人・志賀大悟・鷹野優・中村春木・田中俊樹
- Organizer
  第12回蛋白質科学会
- Place of Presentation
  名古屋国際会議場
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] シトクロムc酸化酵素にみられるCu_A部位の電子構造の配位子効果に関する理論的研究2012
- Author(s)
  鷹野優, 奥山折緒, 重田育照, 中村春木
- Organizer
  日本化学会第92回春期年会
- Place of Presentation
  慶応義塾大学
- Year and Date
  2012-03-27
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] Computational study of the phosphodiester hydrolysis of RNA by RNase H2012
- Author(s)
  鷹野　優
- Organizer
  第50回日本生物物理学会年会
- Place of Presentation
  名古屋大学・東山キャンパス
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] 電子伝達部位CuAの分子構造－電子構造相関2012
- Author(s)
  鷹野優・奥山折緒・重田育照・中村春木
- Organizer
  第62回錯体化学討論会
- Place of Presentation
  富山大学
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] DFT studies of the structural variety of the Cu2S2 core of the CuA site2012
- Author(s)
  Yu Takano, Orio Okuyama, Yasuteru Shigeta, Haruki Nakamura
- Organizer
  JST International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems (MSCRS2012)
- Place of Presentation
  Nagoya University
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] Computational study of electronic structures of a characteristic [4Fe-4S] cluster, [Fe_4S_4(SCH_3)_3(CH_3COO)], in dark-operative protochlorophyllide oxidoreductase2011
- Author(s)
  Yu Takano, Yasushige Yonezawa, Yuichi Fujita, Genji Kurisu, Haruki Nakamura
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics
- Place of Presentation
  石川県立美術館(招待講演)
- Year and Date
  2011-09-15
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] シトクロムc酸化酵素、亜酸化窒素還元酵素にみられるCuA部位のCu_2S_2コアの電子構造の起源の理論的解明2011
- Author(s)
  鷹野優, 重田育照, 奥山折緒, 小泉健一, 中村春木
- Organizer
  第61回錯体化学討論会
- Place of Presentation
  岡山理科大学
- Year and Date
  2011-09-18
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] Coordination effects on the electronic structures of the Cu_A site in cytochrome c oxidase2011
- Author(s)
  Yu Takano, Orio Okuyama, Yasuteru Shigeta, Haruki Nakamura
- Organizer
  14th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-14)
- Place of Presentation
  東京大学
- Year and Date
  2011-10-31
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 光非依存型プロトクロロフィリド還元酵素中の[4Fe-4S]クラスターの電子構造の理論的研究2011
- Author(s)
  鷹野優, 米澤康滋, 藤田祐一, 栗栖源嗣, 中村春木
- Organizer
  第11回蛋白質科学会
- Place of Presentation
  ホテル阪急エキスポパーク(招待講演)
- Year and Date
  2011-06-08
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] シトクロムc酸化酵素、亜酸化窒素還元酵素にみられるCu_A部位のCu_2S_2コアの電子構造の起源の理論的解明2011
- Author(s)
  鷹野優, 重田育照, 奥山折緒, 小泉健一, 中村春木
- Organizer
  分子科学討論会2011北海道
- Place of Presentation
  札幌コンベンションセンター
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] Origin of the variety of the Cu_2S_2 core of the Cu_A site2011
- Author(s)
  Orio Okuyama, Yasuteru Shigeta, Haruki Nakamura, Yu Takano
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics
- Place of Presentation
  石川県立美術館
- Year and Date
  2011-09-12
- Data Source
  KAKENHI-PUBLICLY-23104506
[Presentation] 光非依存型プロトクロロフィリド還元酵素中の[4Fe-4S]クラスターの電子構造の理論的研究2011
- Author(s)
  鷹野　優
- Organizer
  第11回日本蛋白質科学会年会
- Place of Presentation
  大阪千里
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] Characteristic electronic structures of a novel [4Fe-4S] cluster in dark-operative protochlorophillide oxidoreductase (DPOR)2011
- Author(s)
  鷹野　優
- Organizer
  第49回日本生物物理学会
- Place of Presentation
  兵庫県立大学書写キャンパス
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] 光合成反応中心スペシャルペアの電子構造解析2010
- Author(s)
  山崎秀樹、鷹野優、中村春木
- Organizer
  スーパーコンピューターワークショップ2010
- Place of Presentation
  分子科学研究所
- Year and Date
  2010-01-13
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Charge density migration of the propionate groups of heme a of cytochrome c oxidase in the redox reaction2010
- Author(s)
  Y.Takano, H.Nakamura
- Organizer
  The 2nd Biosupercomputing Symposium
- Place of Presentation
  MY PLAZA Hall, Tokyo
- Year and Date
  2010-03-18
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Theoretical study on the electronic structure of the special pair in the photosynthetic reaction2010
- Author(s)
  H.Yamasaki, Y.Takano, H.Nakamura
- Organizer
  The 2nd Biosupercomputing Symposium
- Place of Presentation
  MY PLAZA Hall, Tokyo
- Year and Date
  2010-03-18
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] 酸素運搬タンパク質ヘムエリスリンの活性中心の電子構造に関する理論的研究2009
- Author(s)
  鷹野優, 小泉健一, 山口兆, 中村春木
- Organizer
  スーパーコンピュータワークショップ2009
- Place of Presentation
  分子科学研究所
- Year and Date
  2009-01-19
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] チトクロムc酸化酵素のArg38のpK_aに対するheme aの制御機構の理論的研究2009
- Author(s)
  鷹野優、中村春木
- Organizer
  特定領域研究「生体超分子構造」第6回公開シンポジウム
- Place of Presentation
  千里ライフサイエンスセンター
- Year and Date
  2009-12-02
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Theoretical analysis of the side group rotamers of chlorophyll2009
- Author(s)
  山崎秀樹、鷹野優、中村春木
- Organizer
  次世代生命体統合PJ分子スケールワークショップ:「ペタフロップスコンピューティングに向けた生体高分子シミュレーションの最前線」
- Place of Presentation
  東京大学生産技術研究所
- Year and Date
  2009-08-10
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Toward the Understanding on Electronic State of Chemical Reactions of Bio-molecules by Simulations.2009
- Author(s)
  米澤康滋、鷹野優、山中秀介、山崎秀樹
- Organizer
  第47回日本生物物理学会年会
- Place of Presentation
  徳島文理大学・アスティとくしま
- Year and Date
  2009-10-31
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] タンパク質がつくる静電場のヘムエリスリンの活性中心の電子構造への影響2009
- Author(s)
  鷹野優, 小泉健一, 山口兆, 中村春木
- Organizer
  日本化学会第89回春季年会
- Place of Presentation
  日本大学
- Year and Date
  2009-03-30
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] シトクロムc酸化酵素CuAサイトの電子状態解析2009
- Author(s)
  小泉健一、鷹野優、中村春木
- Organizer
  第9回蛋白質科学会
- Place of Presentation
  熊本全日空ホテルニュースカイ
- Year and Date
  2009-05-21
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Density functional study of electronic strucutres of hemes -Roles of heme side chains-2009
- Author(s)
  Yu Takano
- Organizer
  49th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort
- Year and Date
  2009-02-26
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Ligand coordination effects on the electronic structures of the models of hemocyanin2009
- Author(s)
  Y.Takano, K.Yamaguchi, H.Nakamura
- Organizer
  Diradicals and Multiradicals : Theory and Experiment
- Place of Presentation
  FUNDP, Namur, Belgium
- Year and Date
  2009-07-28
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] 反応中心スペシャルペアの電子非対称性の理論解析2009
- Author(s)
  山崎秀樹、鷹野優、中村春木
- Organizer
  第9回日本光合成研究会公開シンポジウム「植物の生産性を支える多様な側面」
- Place of Presentation
  東京大学
- Year and Date
  2009-05-29
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] シトクロム酸化酵素CuAサイトの酸化還元電位に及ぼす周辺残基の効果についての理論的研究2009
- Author(s)
  小泉健一、鷹野優、重田育照、神谷克政、中村春木、押山淳
- Organizer
  第3回分子科学討論会2009名古屋
- Place of Presentation
  名古屋大学
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] タンパク質がつくる静電場のヘムエリスリンの活性中心の電子構造への影響2009
- Author(s)
  鷹野優
- Organizer
  日本化学会第89回春期年会
- Place of Presentation
  日本大学
- Year and Date
  2009-03-30
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Density functional study of the roles of heme side chains and axial ligands2009
- Author(s)
  Yu Takano, Haruki Nakamura
- Organizer
  49th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort, Georgia
- Year and Date
  2009-02-27
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] 光合成反応中心の色素配置に関する理論研究2009
- Author(s)
  山崎秀樹、鷹野優、中村春木
- Organizer
  第9回蛋白質科学会
- Place of Presentation
  熊本全日空ホテルニュースカイ
- Year and Date
  2009-05-22
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] クロロフィル側鎖の回転に伴う電子構造変化の理論的研究2009
- Author(s)
  山崎秀樹、鷹野優、中村春木
- Organizer
  第12回理論化学討論会
- Place of Presentation
  東京大学武田先端知ビル武田ホール
- Year and Date
  2009-05-28
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Density Functional Study of Roles of Porphyrin Ring in Electronic Structures of Heme2009
- Author(s)
  鷹野優、中村春木
- Organizer
  第47回日本生物物理学会年会
- Place of Presentation
  徳島文理大学・アスティとくしま
- Year and Date
  2009-10-30
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] ヘムエリスリンの活性中心の電子構造への蛋白場の影響2009
- Author(s)
  鷹野優, 小泉健一, 山口兆, 中村春木
- Organizer
  第9回蛋白質科学会年会
- Place of Presentation
  熊本全日空ホテルニュースカイ
- Year and Date
  2009-05-21
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Density functional study of electronic strucutres of hemes-Roles of heme side chains-2009
- Author(s)
  Yu Takano
- Organizer
  49th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort
- Year and Date
  2009-02-26
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] 分子動力学シミュレーションによる蛋白質周辺における水分子の集団的運動の解析2009
- Author(s)
  梅澤公二、森河良太、鷹野優、中村春木、肥後順一
- Organizer
  「特定領域研究」生体超分子の構造形成と機能制御の原子機構第5回ワークショップ
- Place of Presentation
  湘南国際村センター国際会議場
- Year and Date
  2009-07-27
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] 単純並列化によるマルチカノニカル分子動力学法のサンプリング効率の向上2009
- Author(s)
  池部仁善、梅澤公二、肥後順一、神谷成敏、杉原崇憲、米澤康滋、鷹野優、中村春木
- Organizer
  特定領域研究「生体超分子構造」第6回公開シンポジウム
- Place of Presentation
  千里ライフサイエンスセンター
- Year and Date
  2009-12-02
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] 量子化学計算によるチオエステル基周辺の分子力場パラメータの開発2009
- Author(s)
  小田彰史、高橋央宜、鷹野優
- Organizer
  平成21年度化学系学協会東北大会
- Place of Presentation
  日本大学工学部
- Year and Date
  2009-09-20
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] 分子動力学シミュレーションによる、蛋白質周辺における水分子の協調的な動きの解析2009
- Author(s)
  梅澤公二、森河良太、鷹野優、中村春木、肥後順一
- Organizer
  特定領域研究「生体超分子構造」第6回公開シンポジウム
- Place of Presentation
  千里ライフサイエンスセンター
- Year and Date
  2009-12-02
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Theoretical analysis of the side group rotamers of chlorophyll2009
- Author(s)
  山崎秀樹、鷹野優、中村春木
- Organizer
  第47回日本生物物理学会年会
- Place of Presentation
  徳島文理大学・アスティとくしま
- Year and Date
  2009-11-01
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] シミュレーション計算によって57残基蛋白質の天然構造をアミノ酸情報だけから再現する2009
- Author(s)
  池部仁善、Daron M.Standley、鷹野優、中村春木、肥後順一
- Organizer
  「特定領域研究」生体超分子の構造形成と機能制御の原子機構第5回ワークショップ
- Place of Presentation
  湘南国際村センター国際会議場
- Year and Date
  2009-07-27
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] ヘムエリスリンの活性中心の電子構造への蛋白場の影響2009
- Author(s)
  鷹野優、小泉健一、山口兆、中村春木
- Organizer
  第9回蛋白質科学会
- Place of Presentation
  熊本全日空ホテルニュースカイ
- Year and Date
  2009-05-21
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] 酸素運搬タンパク質ヘムエリスリンの活性中心の電子構造および化学結合様式に関する理論的研究2008
- Author(s)
  鷹野優
- Organizer
  第102回触媒討論
- Place of Presentation
  名古屋大学
- Year and Date
  2008-09-25
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Electronic structures of heme a of cytochrome c oxidase in the redox states2008
- Author(s)
  Yu Takano
- Organizer
  XXI Congress and General Assembly of the International Union of Crystrallography
- Place of Presentation
  Osaka international convention hall
- Year and Date
  2008-08-29
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] ウシチトクロムρ酸化酵素のheme aの酸化還元における電子構造変化とプロトン移動との関係2008
- Author(s)
  鷹野優
- Organizer
  「特定領域研究」生態超分子の構造形成と機能制御の原子機能第4回ワークショップ
- Place of Presentation
  淡路夢舞台国際会議場
- Year and Date
  2008-06-17
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Theoretical study of the roles of heme side chains and axial ligands2008
- Author(s)
  Y., Takano
- Organizer
  48th Sanibel Symposium
- Place of Presentation
  The King and Prionce Golf & Beach Resort, Georgia
- Year and Date
  2008-02-26
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] A theoretical analysis of electronic asymmetry of the special pari in photosynthetic reaction center2008
- Author(s)
  H., Yamasaki, Y., Takano, H., Nakamura
- Organizer
  Supercomputer Workshop 2008 : Large-scale computation and molecular dynamics
- Place of Presentation
  Institute for Molecular Science, Okazaki
- Year and Date
  2008-02-18
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] Conformational controls of tetrahedral intermediates in acylation step of ester hydrolysis by lipases and esterases2008
- Author(s)
  Yu Takano
- Organizer
  Houk65 Symposium Computational, Chemistry : Orgo, Bio, Nano
- Place of Presentation
  UCLA
- Year and Date
  2008-07-07
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] 金属蛋白質の多核活性中心の電子構造および化学結合様式に関する理論的研究-酸素運搬蛋白質ヘムエリスリンへの適用-2008
- Author(s)
  鷹野優, 小泉健一, 山口兆, 中村春木
- Organizer
  日本生物物理学会第46回年会
- Place of Presentation
  博多国際会議場
- Year and Date
  2008-12-05
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] 酸素運搬タンパク質ヘムエリスリンの活性中心の電子構造および化学結合様式に関する理論的研究2008
- Author(s)
  鷹野優, 山口兆, 中村春木
- Organizer
  第102回触媒討論会
- Place of Presentation
  名古屋大学
- Year and Date
  2008-09-25
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] ウシシトクロムc酸化酵素のヘムaの酸化還元状態における電子構造2008
- Author(s)
  鷹野優
- Organizer
  スーパーコンピュータワークショップ2008「大規模計算と分子のダイナミクス」
- Place of Presentation
  分子科学研究所
- Year and Date
  2008-02-18
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] 酸素運搬蛋白質ヘムエリスリンの化学結合様式に関する理論的研究2008
- Author(s)
  鷹野優
- Organizer
  次世代生命体統合シミュレーション研究開発プロジェクト分子スケール研究開発チーム成果発表会
- Place of Presentation
  理化学研究所
- Year and Date
  2008-08-05
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Cytchrome c oxidaseのheme aと光合成反応中心のスペシャルペアの電子構造の理論的研究-タンパク質と補因子の関係-2008
- Author(s)
  鷹野優
- Organizer
  特定領域研究「生体超分子構造」第4回公開シンポジウム
- Place of Presentation
  つくば国際会議場
- Year and Date
  2008-12-19
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] ヘムエリスリンの活性中心の電子構造および化学結合様式に関する理論的研究2008
- Author(s)
  鷹野優, 山口兆, 中村春木
- Organizer
  第8回蛋白質科学会
- Place of Presentation
  タワーホール船堀
- Year and Date
  2008-06-11
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Electronic Structures and Chemical Indices of the Active Site of Oxygenated and Deoxygenated Hemerythrin2008
- Author(s)
  Yu Takano
- Organizer
  World Association of Theoretical and Computational Chemists 2008
- Place of Presentation
  Sydney Convention & Exhibition Centre Darling Harbor
- Year and Date
  2008-09-14
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Quantum chemical study of the spin density distribution of the special pair cation radical in the photosynthetic reaction center2008
- Author(s)
  H., Yamasaki, Y., Takano, H., Nakamura
- Organizer
  The 1st International Global COE Symposium on Bio-Environmental Chemistry
- Place of Presentation
  Hotel Hankyu EXPO park, Osaka
- Year and Date
  2008-01-28
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] ウシシトクロムc酸化酵素のヘムaの酸化還元状態における電子構造2008
- Author(s)
  鷹野優
- Organizer
  スーパーコンピュータワークショップ2008「大規模計算と分子のダイナミクス」
- Place of Presentation
  分子科学研究所
- Year and Date
  2008-02-18
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Theoretical study of the roles of heme side chains and axial ligands2008
- Author(s)
  Yu Takano
- Organizer
  48th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf& Beach Resort, Georgia
- Year and Date
  2008-02-26
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Electronic Structures of Functional Sites in Membrane Proteins : H-pathway of Cytochrome c Oxidase and Photosynthetic type-II Reaction Center2008
- Author(s)
  Yu Takano
- Organizer
  39th NIPS International Symposium & 7th OIB Symposium "Frontiers of Biological Imaging-Synergy of the Advanced Techniques-"
- Place of Presentation
  Okazaki Conference Center
- Year and Date
  2008-11-13
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Electronic Structures and Chemical Indices of the Active Site of Oxygenated and Deoxygenated Hemerythrin2008
- Author(s)
  Yu Takano, Kizashi Yamaguchi, Haruki Nakamura
- Organizer
  WATOC2008
- Place of Presentation
  Sydney
- Year and Date
  2008-09-14
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] シトクロムc酸化酵素のヘムaの酸化還元状態における電子構造2008
- Author(s)
  鷹野優
- Organizer
  日本化学会第88回春期年会
- Place of Presentation
  立教大学
- Year and Date
  2008-03-29
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] ヘムエリスリンの活性中心の化学結合様式に関する理論的研究2008
- Author(s)
  鷹野優, 小泉健一, 山口兆, 中村春木
- Organizer
  第2回分子科学討論会2008福岡
- Place of Presentation
  博多国際会議場
- Year and Date
  2008-09-27
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Electronic structures of heme a of cytochrome c oxidase in the redox states2008
- Author(s)
  Yu Takano
- Organizer
  XXI Congress and General Assembly of the International Union of Crystrallography
- Place of Presentation
  Osaka international convention hall
- Year and Date
  2008-08-29
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Electronic structure of heme a in bovine cytochrome c oxidase in the redox state2008
- Author(s)
  Y., Takano, H., Nakamura
- Organizer
  Supercomputer Workshop 2008 : Large-scale computation and molecular dynamics
- Place of Presentation
  Institute for Molecular Science, Okazaki
- Year and Date
  2008-02-18
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] Theoretical study of the roles of heme side chains and axial ligands2008
- Author(s)
  Yu Takano, Haruki Nakamura
- Organizer
  48th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort, Georgia
- Year and Date
  2008-02-26
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] 金属タンパク質の活性部位の電子構造-Cytochrome c oxidaseのheme aと光合成反応中心のスペシャルペアについて-2008
- Author(s)
  鷹野優
- Organizer
  特定領域研究「実在系の分子理論」若手研究者勉強会
- Place of Presentation
  伊豆長岡えふでの宿小松家八の坊
- Year and Date
  2008-11-29
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] ヘムエリスリンの活性中心の化学結合様式に関する理論的研究2008
- Author(s)
  鷹野優
- Organizer
  第2回分子科学討論会2008福岡
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Cytochmme c oxidaseのheme aと光合成反応中心のスペシャルペアの電子構造の理論的研究-タンパク質と補因子の関係-2008
- Author(s)
  鷹野優
- Organizer
  特定領域研究「生体超分子構造」第4回公開シンポジウム
- Place of Presentation
  つくば国際会議場
- Year and Date
  2008-12-19
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Electronic Structures of Functional Sites in Membrane Proteins : H-pathway of Cytochrome c Oxidase and Photosynthetic type-II Reaction Center2008
- Author(s)
  Yu Takano
- Organizer
  39th NIPS International Symposium & 7th OIB Symposium "Frontiers of Biological Imaging -Synergy of the Advanced Techniques-"
- Place of Presentation
  Okazaki Conference Center
- Year and Date
  2008-11-13
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Theoretical study of the roles of heme side chains and axial ligands2008
- Author(s)
  Y., Takano, H., Nakamura
- Organizer
  48'th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort, Georgia, U.S.A
- Year and Date
  2008-02-26
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] Electronic structure of heme a in bovine cytochrome c oxidase in the redox state2008
- Author(s)
  Y., Takano, H., Nakamura
- Organizer
  88'th Spring Meeting of The Chemical Society of Japan
- Place of Presentation
  Rikkyo University, Tokyo
- Year and Date
  2008-03-29
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] ウシチトクロムc酸化酵素のheme aの酸化還元における電子構造変化とプロトン移動との関係2008
- Author(s)
  鷹野優
- Organizer
  「特定領域研究」生体超分子の構造形成と機能制御の原子機構第4回ワークショップ
- Place of Presentation
  淡路夢舞台国際会議場
- Year and Date
  2008-06-17
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] シトクロムc酸化酵素のヘムaの酸化還元状態における電子構造2008
- Author(s)
  鷹野優
- Organizer
  日本化学会第88回春期年会
- Place of Presentation
  立教大学
- Year and Date
  2008-03-29
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] 金属蛋白質の多核活性中心の電子構造および化学結合様式に関する理論的研究-酸素運搬蛋白質ヘムエリスリンへの適用-2008
- Author(s)
  鷹野優
- Organizer
  日本生物物理学会第46回年会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-12-05
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] 金属タンパク質の活性部位の電子構造-Cytochrome c oxidaseのheme aと光合成反応中心のスペシャルペアについて-2008
- Author(s)
  鷹野優
- Organizer
  特定領域研究「実在系の分子理論」若手研究者勉強会
- Place of Presentation
  伊豆長岡えふでの宿小松家八の坊
- Year and Date
  2008-11-29
- Data Source
  KAKENHI-PROJECT-20051013
[Presentation] Molecular simulations of protein-ligand structures constructed by computational doking2007
- Author(s)
  A., Oda, Y., Takano, H., Nakamura, N., Yamaotsu, S., Hirono, O., Takahashi, H., Matsuzaki
- Organizer
  45'th Annual Meeting of Biophysical Society of Japan
- Place of Presentation
  Pacifico Yokohama, Yokohama
- Year and Date
  2007-12-21
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] Computational studies of the substrate recognition mechanism of Escherichia coil endonuclease III2007
- Author(s)
  K., Manabe, Y., Takano, K., Hitomi, J.A., Tainer, H., Nakamura, N., Iwai
- Organizer
  BMB 2007
- Place of Presentation
  Pacifico Yokohama, Yokohama
- Year and Date
  2007-12-13
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] A theoretical approach to a novel proton transfer pathway of cytochrome coxidase2007
- Author(s)
  Yu Takano
- Organizer
  International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  Kyoto University(Katsura campus)
- Year and Date
  2007-07-28
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] チトクロムc酸化酵素のheme aの酸化還元における電子構造変化とプロトン移動との関係2007
- Author(s)
  鷹野優, 中村春木
- Organizer
  第1回分子科学討論会2007仙台
- Place of Presentation
  東北大学
- Year and Date
  2007-09-18
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] The Nature of the Copper-Oxygen Bonds in Hemocyanin by Hybrid DFT Calculation of Effective Exchange Integrals and Dioxygen Binding Energy via Ligand Coordination Effects2007
- Author(s)
  Yu Takano, Kizashi Yamaguchi
- Organizer
  47th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort, Georgia
- Year and Date
  2007-02-25
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] 酸化還元状態におけるウシチトクロムc酸化酵素のheme aの電子構造2007
- Author(s)
  鷹野優
- Organizer
  特定領域研究「生体超分子構造」第4回公開シンポジウム
- Place of Presentation
  千里ライフサイエンスセンター
- Year and Date
  2007-12-19
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] Electronic structure of heme a in cytochrome c oxidase in the redox state2007
- Author(s)
  Y., Takano, H., Nakamura
- Organizer
  7'th Annual Meeting of Protein Science Society of Japan
- Place of Presentation
  Sendai International Center, Sendai
- Year and Date
  2007-05-25
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] heme aの酸化還元における電子構造とペプチドを介したプロトン移動の関係チトクロムc酸化酵素の新しいプロトン輸送機構への理論的アプローチ-2007
- Author(s)
  鷹野優
- Organizer
  「特定領域研究」生体超分子の構造形成と機能制御の原子機構第3回ワークショップ
- Place of Presentation
  ホテルニューアカオ(熱海)
- Year and Date
  2007-07-12
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] チトクロムc酸化酵素のheme aの酸化還元状態における電子構造2007
- Author(s)
  鷹野優
- Organizer
  第7回蛋白質科学会
- Place of Presentation
  仙台国際センター
- Year and Date
  2007-05-25
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] A theoretical approach to a novel proton transfer pathway of cytochrome coxidase2007
- Author(s)
  Y., Takano
- Organizer
  International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  Kyoto University(Katsura campus)
- Year and Date
  2007-07-28
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] チトクロムc酸化酵素の新しいプロトン輸送機構への理論的アプローチ -heme aの酸化還元における電子構造とペプチドを介したプロトン移動の関係-2007
- Author(s)
  鷹野優
- Organizer
  日本生物物理学会第45回年会
- Place of Presentation
  パシフィコ横浜
- Year and Date
  2007-12-23
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] Molecular orbital study of the proton transfer through a peptide bond -A theoretical approach to a novel pathway of proton translocation of cytochrome c oxidase-2007
- Author(s)
  Y., Takano
- Organizer
  ICCMSE2007
- Place of Presentation
  Marbella Corfu Hotel, Greece
- Year and Date
  2007-09-26
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] A theoretical approach to a novel proton transfer pathway of cytochrome c oxidase2007
- Author(s)
  Y., Takano, H., Nakamura
- Organizer
  45'th Annual Meeting of Biophysical Society of Japan
- Place of Presentation
  Pacifico Yokohama, Yokohama
- Year and Date
  2007-12-23
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] Molecular orbital study of the proton transfer through a peptide bond -A theoretical approach to a novel pathway of proton translocation of cytochrome c oxidase-2007
- Author(s)
  Yu Takano, Haruki Nakamura
- Organizer
  ICCMSE2007
- Place of Presentation
  Marbella Corfu Hotel, Greece
- Year and Date
  2007-09-26
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] チトクロムc酸化酵素のheme aの酸化還元状態における電子構造2007
- Author(s)
  鷹野優
- Organizer
  第7回蛋白質科学会
- Place of Presentation
  仙台国際センター
- Year and Date
  2007-05-25
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Quantum chemical study of the spin density distribution of the special pair cation radical in the bacterial photosynthetic reaction center2007
- Author(s)
  H., Yamasaki, Y., Takano, H., Nakamura
- Organizer
  45'th Annual Meeting of Biophysical Society of Japan
- Place of Presentation
  Pacifico Yokohama, Yokohama
- Year and Date
  2007-12-22
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] Molecular orbital study of the proton transfer through a peptide bod-A theoretical approach to a novel pathway of proton translocation of cytochrome c oxidase-2007
- Author(s)
  Yu Takano
- Organizer
  ICCMSE2007
- Place of Presentation
  Marbella Corfu Hotel,Greece
- Year and Date
  2007-09-26
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Molecular orbital study of the proton transfer through a peptide bond-A theoretical approach to a novel pathway of proton translocation of cytochrome c oxidase-2007
- Author(s)
  Y., Takano, H., Nakamura
- Organizer
  ICCMSE2007
- Place of Presentation
  Marbella Corfu Hotel, Greece
- Year and Date
  2007-09-26
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] チトクロムc酸化酵素のheme aの酸化還元における電子構造変化とプロトン移動との関係2007
- Author(s)
  鷹野優
- Organizer
  第1回分子科学討論会2007仙台
- Place of Presentation
  東北大学川内北キャンパス
- Year and Date
  2007-09-18
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] heme aの酸化還元における電子構造とペプチドを介したプロトン移動の関係-チトクロムc酸化酵素の新しいプロトン輸送機構への理論的アプローチー2007
- Author(s)
  鷹野優
- Organizer
  「特定領域研究」生体超分子の構造形成と機能制御の原子機構第3回ワークショップ
- Place of Presentation
  ホテルニューアカオ(熱海)
- Year and Date
  2007-07-12
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] A theoretical approach to a novel proton transfer pathway of cytochrome c oxidase2007
- Author(s)
  Y., Takano, H., Nakamura
- Organizer
  International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  Kyoto University
- Year and Date
  2007-07-28
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] Relationship between electronic structural change and proton transfer of heme a in cytochrome c oxidase in the redox state2007
- Author(s)
  Y., Takano, H., Nakamura
- Organizer
  1'st meeting of Japan Society of Molecular Science 2007 at Sendai
- Place of Presentation
  Tohoku University
- Year and Date
  2007-09-18
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] チトクロムc酸化酵素の新しいプロトン輸送機構への理論的アプローチーheme aの酸化還元における電子構造とペプチドを介したプロトン移動の関係-2007
- Author(s)
  鷹野優
- Organizer
  日本生物物理学会第45回年会
- Place of Presentation
  パシフイコ横浜
- Year and Date
  2007-12-23
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] チトクロムc酸化酵素のheme aの酸化還元における電子構造変化とプロトン移動との関係2007
- Author(s)
  鷹野優
- Organizer
  第1回分子科学討論会2007仙台
- Place of Presentation
  東北大学川内北キャンパス
- Year and Date
  2007-09-18
- Data Source
  KAKENHI-PROJECT-18054013
[Presentation] 酸化還元状態におけるウシチトクロムc酸化酵素のheme aの電子構造2007
- Author(s)
  鷹野優
- Organizer
  特定領域研究「生体超分子構造」第4回公開シンポジウム
- Place of Presentation
  千里ライフサイエンスセンター
- Year and Date
  2007-12-19
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] Theoretical analysis of electronic asymmetry of the special pair in the photosynthetic reaction center : Effect of protein environment2006
- Author(s)
  H., Yamasaki, Y., Takano, H., Nakamura
- Organizer
  EABS &BSJ
- Place of Presentation
  Okinawa Convention Center, Ginowan, Okinawa
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] Quantum mechanical study of the proton transfer via a peptide bond in the novel pathway of proton translocation of cytochrome c oxidase2006
- Author(s)
  Y., Takano, H., Nakamura
- Organizer
  EABS &BSJ
- Place of Presentation
  Okinawa Convention Center, Ginowan, Okinawa
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18370063
[Presentation] Quantum mechanical approach to a novel pathway of proton translocation of cytochrome c oxidase2006
- Author(s)
  Yu Takano, Haruki Nakamura
- Organizer
  Material-oriented Quantum Chemistry
- Place of Presentation
  Osaka
- Year and Date
  2006-05-28
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] 分子軌道法によるチトクロムc酸化酵素の新しいプロトン輸送経路の考察2006
- Author(s)
  鷹野優, 中村春木
- Organizer
  分子構造総合討論会2006
- Place of Presentation
  静岡グランシップ
- Year and Date
  2006-09-23
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] 酸素運搬蛋白質ヘムエリスリンの化学結合様式に関する理論的研究
- Author(s)
  鷹野優, 小泉健一, 山口兆, 中村春木
- Organizer
  次世代生命体統合シミュレーション研究開発プロジェクト分子スケール研究開発チーム成果発表会
- Data Source
  KAKENHI-PROJECT-18750011
[Presentation] ブルー銅蛋白質の活性中心の分子構造-電子構造相関の理論的研究
- Author(s)
  鷹野優・中村春木
- Organizer
  錯体化学会第63回討論会
- Place of Presentation
  琉球大学
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] 蛋白質の二次構造形成に関わる相互作用に関する理論的研究
- Author(s)
  鷹野優・中村春木
- Organizer
  文部科学省科学研究費新学術領域「コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス」平成25年度第2回研究会
- Place of Presentation
  東京大学本郷キャンパス工学部6号館
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] 蛋白質中における金属補欠分子の電子構造制御に関する理論的研究
- Author(s)
  鷹野優
- Organizer
  計算生命科学WG第3回講演会
- Place of Presentation
  筑波大学計算科学研究センター
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] 蛋白質の二次構造形成に関わる相互作用に関する理論的研究
- Author(s)
  鷹野優・中村春木
- Organizer
  文部科学省科学研究費新学術領域「コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス」平成25年度第2回研究会
- Place of Presentation
  東京大学本郷キャンパス工学部6号館
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] リボヌクレアーゼHIの RNA加水分解反応機構に関する計算化学的研究
- Author(s)
  鷹野優・喜多真琴・中村春木
- Organizer
  第7回分子科学討論会2013京都
- Place of Presentation
  京都テルサ
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] 電子伝達に働くCuA部位の分子構造－電子構造相関の理論的研究
- Author(s)
  鷹野優・重田育照・中村春木
- Organizer
  文部科学省科学研究費新学術領域「コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス」平成25年度研究会
- Place of Presentation
  東京大学武田ホール
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] RNaseHIのRNA加水分解反応機構に関する計算科学的研究
- Author(s)
  鷹野優・喜多真琴・中村春木
- Organizer
  第13回日本蛋白質科学会年会
- Place of Presentation
  とりぎん文化会館（鳥取市）
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] Computational study of the effect of point mutations on the electronic structures of hemes in cytochrome c
- Author(s)
  今田康博・中村春木・鷹野優
- Organizer
  第52回生物物理学会年会
- Place of Presentation
  札幌コンベンションセンター（北海道札幌市）
- Year and Date
  2014-09-25 – 2014-09-27
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 金属タンパク質中の補欠分子の分子構造-電子構造-機能相関
- Author(s)
  鷹野優
- Organizer
  第6回協定講座シンポジウム
- Place of Presentation
  神戸大学統合研究拠点
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] Theoretical study of local- and nonlocal-molecular interactions in secondary structures
- Author(s)
  u Takano, Haruki Nakamura
- Organizer
  5th JCS (Japan, Czech, Slovakia) International Symposium on Theoretical Chemistry
- Place of Presentation
  Nara
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] リボヌクレアーゼHIの RNA加水分解反応機構に関する計算化学的研究
- Author(s)
  鷹野優・喜多真琴・中村春木
- Organizer
  第7回分子科学討論会2013京都
- Place of Presentation
  京都テルサ（京都市）
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] Enhanced conformational sampling methods for extracting biological rare events of proteins
- Author(s)
  原田隆平・鷹野優・重田育照
- Organizer
  第52回生物物理学会年会
- Place of Presentation
  札幌コンベンションセンター（北海道札幌市）
- Year and Date
  2014-09-25 – 2014-09-27
- Data Source
  KAKENHI-PLANNED-26105012
[Presentation] 金属蛋白質中の補欠分子の電子構造の計算化学的研究
- Author(s)
  鷹野優
- Organizer
  蛋白質研究所セミナー「結晶構造を併用したハイブリッド構造研究の最前線」
- Place of Presentation
  大阪大学蛋白質研究所
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] 二次構造形成に関する局所および非局所相互作用に関する計算化学的研究
- Author(s)
  鷹野優・中村春木
- Organizer
  スーパーコンピュータワークショップ2013
- Place of Presentation
  自然科学研究機構　岡崎コンファレンスセンター
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] 二次構造形成に関する局所および非局所相互作用に関する計算化学的研究
- Author(s)
  鷹野優・中村春木
- Organizer
  スーパーコンピュータワークショップ2013
- Place of Presentation
  自然科学研究機構　岡崎コンファレンスセンター
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] RNaseHIのRNA加水分解反応機構に関する計算科学的研究
- Author(s)
  鷹野優・喜多真琴・中村春木
- Organizer
  第13回日本蛋白質科学会年会
- Place of Presentation
  とりぎん文化会館
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] Density functional study of local and nonlocal molecular interactions in secondary structure
- Author(s)
  Yu Takano, Haruki Nakamura
- Organizer
  54th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] Quantum chemical study of intra- and inter-molecular interactions in secondary structures
- Author(s)
  鷹野優・中村春木
- Organizer
  第51回日本生物物理学会
- Place of Presentation
  京都国際会議場（京都市）
- Data Source
  KAKENHI-PROJECT-23657103
[Presentation] Quantum chemical study of intra- and inter-molecular interactions in secondary structures
- Author(s)
  鷹野優・中村春木
- Organizer
  第51回生物物理学会
- Place of Presentation
  京都国際会議場
- Data Source
  KAKENHI-PUBLICLY-25104717
[Presentation] Density functional study of local and nonlocal molecular interactions in secondary structure
- Author(s)
  Yu Takano, Haruki Nakamura
- Organizer
  54th Sanibel Symposium
- Place of Presentation
  The King and Prince Golf & Beach Resort, Georgia, USA
- Data Source
  KAKENHI-PROJECT-23657103

1. NAKAMURA Haruki (80134485)

# of Collaborated Projects: 5 results

# of Collaborated Products: 62 results
2. 近藤寛子 (60700028)

# of Collaborated Projects: 5 results

# of Collaborated Products: 67 results
3. YONEZAWA Yasushige (40248753)

# of Collaborated Projects: 4 results

# of Collaborated Products: 11 results
4. 森川良忠 (80358184)

# of Collaborated Projects: 3 results

# of Collaborated Products: 4 results
5. OSHIMA Kanji (40437330)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
6. DAIMON Hiroshi (20126121)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
7. 小林伸彦 (10311341)

# of Collaborated Projects: 2 results

# of Collaborated Products: 1 results
8. 松下智裕 (10373523)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
9. 林好一 (20283632)

# of Collaborated Projects: 2 results

# of Collaborated Products: 6 results
10. 野村琴広 (20304165)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
11. 山田容子 (20372724)

# of Collaborated Projects: 2 results

# of Collaborated Products: 1 results
12. 細川伸也 (30183601)

# of Collaborated Projects: 2 results

# of Collaborated Products: 5 results
13. 佐々木裕次 (30344401)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
14. 郷原一寿 (40153746)

# of Collaborated Projects: 2 results

# of Collaborated Products: 1 results
15. 若林裕助 (40334205)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
16. 筒井一生 (60188589)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
17. 木下豊彦 (60202040)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
18. 松井文彦 (60324977)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
19. 福村知昭 (90333880)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
20. 齋藤徹 (80747494)

# of Collaborated Projects: 2 results

# of Collaborated Products: 48 results
21. NAKAGAWA Atushi (20188890)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
22. OKAMURA Yasushi (80201987)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
23. TAKESITA Kouhei (80346808)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
24. 神谷成敏 (80420462)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
25. 高橋敏男 (20107395)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
26. 室隆桂之 (50416385)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
27. 大山研司 (60241569)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
28. 田尻寛男 (70360831)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
29. 石北央 (00508111)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
30. 兼松佑典 (10765936)

# of Collaborated Projects: 1 results

# of Collaborated Products: 27 results
31. 中田彩子 (20595152)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
32. SHIGETA yasuteru

# of Collaborated Projects: 1 results

# of Collaborated Products: 12 results
33. KAMIYA katsumasa

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
34. SHOJI mitsuo

# of Collaborated Projects: 1 results

# of Collaborated Products: 4 results
35. Kimura Koji

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
36. YANAGISAWA Sachiko

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
37. HUKIDOME Hirokazu

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
38. 岡村孝司

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
39. 森次圭

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
40. 山中秀介

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
41. 木村耕治

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
42. 立川仁典

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
43. 松田巌

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
44. 舩橋靖博

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

TAKANO Yu 鷹野 優

Research Projects

Research Products

Co-Researchers

タンパク質により生み出されるヘムの多機能性の起源の解明

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Computational study on the secondary structure dependence of the interaction in protein tertiary structure formation and the development of a new force fieldPrincipal Investigator

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大規模・高精度な第一原理計算による超秩序構造の機能解明とデザイン

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Elucidation of dependence of secondary structure on the formation of protein structure and development of new forcefield incorporating effects of secondary structurePrincipal Investigator

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Elucidation of dependence of secondary structure on the formation of protein structure and development of new forcefield incorporating effects of secondary structurePrincipal Investigator

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A Simulation Study on the Mechanism of Membrane Voltage Depended Protein VSOP

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Construction of oversea base and international network for 3D active site science

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Supervision and research support by platform construction of 3D active-site science

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Elucidation of Structure-Function Relationship of Biological Active Sites and New Material Design by Molecular SimulationPrincipal Investigator

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コイルドコイル内の反応空間制御による人工銅蛋白質の機能制御に向けた理論設計Principal Investigator

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理論計算によるコイルドコイルを用いた機能性遷移金属蛋白質の演繹的デザインPrincipal Investigator

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Development and validation of a new force field depending on protein structures for molecular dynamics simulations

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分子シミュレーションによる生体超分子複合体の構造機能相関の理論的研究Principal Investigator

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TAKANO Yu 鷹野優