kanematsu Yusuke 兼松佑典

… Alternative Names

Kanematsu Yusuke 兼松佑典

兼松佑典カネマツユウスケ

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Researcher Number	10765936
Other IDs
Affiliation (Current)	2025: 広島大学, 先進理工系科学研究科(工), 助教
Affiliation (based on the past Project Information) *help	2020 – 2024: 広島大学, 先進理工系科学研究科(工), 助教 2017 – 2018: 広島市立大学, 情報科学研究科, 研究員
Review Section/Research Field	Principal Investigator Complex systems / Basic Section 37010:Bio-related chemistry Except Principal Investigator Basic Section 26010:Metallic material properties-related / Basic Section 32010:Fundamental physical chemistry-related / Transformative Research Areas, Section (II) / Science and Engineering
Keywords	Principal Investigator 統計解析 / 量子化学 / 機械学習 / 統計科学 / 構造-物性-機能相関 / データベース / ヘムタンパク質 / 金属錯体 / ATP加水分解 / アクチン … More / 量子化学計算 / 構造機能相関 / ヘム / データベース開発 / バイオインフォマティクス … More Except Principal Investigator 量子効果 / 重水素効果 / CPLB法 / 水素ダイナミクス / 金属ナノ粒子 / 電子励起状態 / 化学反応 / 量子多成分系理論 / プロトン移動反応 / 多成分系理論 / 同位体効果 / 多成分量子力学法 / DFT / 励起状態 / 励起状態プロトン移動反応 / 時間依存密度汎関数理論 / 密度汎関数理論 / 原子核の量子揺らぎ / CI-NEB法 / TD-DFT法 / DFT法 / H/D同位体効果 / 原子核の量子効果 / 理論化学 / 重水素 / ヘム / レアイベント / 光化学系II / 密度汎関数法 / 半経験的分子軌道法 / 分子動力学法 / 構造機能相関 / QM/MM計算 / 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 / 金属タンパク質 / 活性サイト Less

量子化学と統計科学の併用による金属酵素の解析Principal Investigator
- Principal Investigator
  
  兼松佑典
- Project Period (FY)
  2022 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Complex systems
- Research Institution
  Hiroshima University
Development of CPLB method of properties and reactivities related hydrogen near the metal nanoparticle surfaces
- Principal Investigator
  
  石元孝佳
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Hiroshima University
Development of multicomponent quantum mechanics methods for analyzing excited state chemical reactions
- Principal Investigator
  
  Udagawa Taro
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Gifu University
Development of PyDISH, the analytic tool of the structure-function relationship for hemePrincipal Investigator
- Principal Investigator
  
  Kanematsu Yusuke
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 37010:Bio-related chemistry
- Research Institution
  Hiroshima University
Construction of basic theory for deuterium science and creation of new concept
- Principal Investigator
  
  Ishimoto Takayoshi
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (B)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Hiroshima University
Elucidation of Structure-Function Relationship of Biological Active Sites and New Material Design by Molecular Simulation
- 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

All 2023 2022 2021 2019 2018 2017 2016 2015

All Journal Article Presentation

[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] Computational analysis of H/D isotope effect on adsorption of water and its dissociated species on Pt(111) surface2023
- Author(s)
  Nasu Kazuma、Sakagami Hiroki、Kanematsu Yusuke、Rivera Rocabado David S.、Shimazaki Tomomi、Tachikawa Masanori、Ishimoto Takayoshi
- Journal Title
  
  AIP Advances
  
  Volume: 13 Issue: 6 Pages: 065305-065305
- DOI
  10.1063/5.0151660
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K17905, KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23K23026
[Journal Article] Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice Ih2023
- Author(s)
  Shimohata Yuya、Kanematsu Yusuke、Rivera Rocabado David S.、Ishimoto Takayoshi
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 127 Issue: 39 Pages: 8025-8031
- DOI
  10.1021/acs.jpca.3c01318
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23026
[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] 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] Exploring the Impact of H/D Isotope Effects of Hydrogen Bond Properties in Water Dimer, Trimer, and Water Adsorption on the Ice Ih(0001) Surface2023
- Author(s)
  Shimohata Yuya、Sakagami Hiroki、Kanematsu Yusuke、Rivera Rocabado David S.、Tachikawa Masanori、Ishimoto Takayoshi
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 127 Issue: 50 Pages: 24316-24323
- DOI
  10.1021/acs.jpcc.3c04610
- Data Source
  KAKENHI-PROJECT-23K23026
[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] Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron‐induced intramolecular proton transfer reactions in 8‐hydroxyquinoline2022
- Author(s)
  Udagawa Taro、Hattori Ikumi、Kanematsu Yusuke、Ishimoto Takayoshi、Tachikawa Masanori
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 122 Issue: 19
- DOI
  10.1002/qua.26962
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04991, KAKENHI-PLANNED-20H05739, KAKENHI-PLANNED-18H05517, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-23K23026
[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] 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] Hydrogen/Deuterium Transfer from Anisole to Methoxy Radicals: A Theoretical Study of a Deuterium-Labeled Drug Model2022
- Author(s)
  Kimura Yuka、Kanematsu Yusuke、Sakagami Hiroki、Rivera Rocabado David S.、Shimazaki Tomomi、Tachikawa Masanori、Ishimoto Takayoshi
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 126 Issue: 1 Pages: 155-163
- DOI
  10.1021/acs.jpca.1c08514
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PLANNED-20H05739, KAKENHI-PLANNED-18H05517, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-23K23026
[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] H/D isotope effect between adsorbed water (H2O, D2O, and HDO) and H2O- and D2O-ice Ih(0001) basal surfaces based on the combined plane wave and localized basis set method2021
- Author(s)
  Ishimoto Takayoshi、Sakagami Hiroki、Kanematsu Yusuke、Tachikawa Masanori
- Journal Title
  
  Applied Surface Science
  
  Volume: 561 Pages: 150100-150100
- DOI
  10.1016/j.apsusc.2021.150100
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026, KAKENHI-PLANNED-20H05739
[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] 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] “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] 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
[Presentation] P450nor中間体の活性評価とN2O生成反応機構解析2023
- Author(s)
  兼松佑典、鷹野優
- Organizer
  第49回生体分子科学討論会
- Data Source
  KAKENHI-PUBLICLY-22H04813
[Presentation] 量子多成分系分子理論のH/D同位体化合物の赤外分光計算への適用性評価2023
- Author(s)
  片岡和樹、兼松佑典、石元孝佳
- Organizer
  第23回分子分光研究会
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Pd(111)表面における水とその解離種の吸着に関するH/D同位体効果の理論的解析2023
- Author(s)
  山岡廉、David S. Rivera Rocabado、石元孝佳、兼松佑典
- Organizer
  第23回大つくば物理化学セミナー
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Quantum chemical and statistical analysis of hemeproteins2023
- Author(s)
  Y. Kanematsu
- Organizer
  International Congress on Pure & Applied Chemistry Bali 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-22H04813
[Presentation] Theoretical analysis on the mechanism of H/D kinetic isotope effect in the metabolism on deuterated drug2023
- Author(s)
  T. Mitani, Y. Kanematsu, T. Ishimoto
- Organizer
  American Chemical Society, Fall Meeting 2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K14741
[Presentation] 赤外分光計算への量子多成分系分子理論の適用性の検証2023
- Author(s)
  片岡和樹、兼松佑典、石元孝佳
- Organizer
  第17回分子科学討論会
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Characterization of P450nor by using statistical analysis and quantum chemical calculation2023
- Author(s)
  Y. Kanematsu, H. X. Kondo, Y. Takano
- Organizer
  The 5th conference of Theory and Applications of Computational Chemistry (TACC)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-22H04813
[Presentation] Theoretical study of isotope effects in ice by CPLB method2023
- Author(s)
  Yuya Shimohata, Yusuke Kanematsu, David Samuel Rivera Rocabado, Takayoshi Ishimoto
- Organizer
  ACS Fall 2023
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Theoretical analysis on the mechanism of H/D kinetic isotope effect in the metabolism on deuterated drug2023
- Author(s)
  Taichi Mitani, Yusuke Kanematsu, Takayoshi Ishimoto
- Organizer
  ACS Fall 2023
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Theoretical investigation of P450nor by using the quantum chemical calculation and database analysis2023
- Author(s)
  Y. Kanematsu
- Organizer
  8th Japan-Thai workshop on Theoretical and Computational Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K14741
[Presentation] Theoretical investigation of P450nor by using the quantum chemical calculation and database analysis2023
- Author(s)
  Y. Kanematsu
- Organizer
  8th Japan-Thai workshop on Theoretical and Computational Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-22H04813
[Presentation] P450nor中間体の活性評価とN2O生成反応機構解析2022
- Author(s)
  兼松佑典、鷹野優
- Organizer
  第16回分子科学討論会
- Data Source
  KAKENHI-PUBLICLY-22H04813
[Presentation] Theoretical investigation on the ATPase mechanism of F-actin2022
- Author(s)
  Y. Kanematsu, Y. Takano, S. Takeda, Y. Maeda
- Organizer
  International Congress on Pure & Applied Chemistry Kota Kinabalu 2022 (ICPAC 2022)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-22H04813
[Presentation] CPLB法による氷の構造と物性に対する重水素効果の理論解析2022
- Author(s)
  下畑佑也、兼松佑典、David S. Rivera Rocabado、石元孝佳
- Organizer
  2022年日本化学会中国四国支部大会広島大会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 重水素医薬品におけるH/D速度論的同位体効果の発現機構に関する理論的解析2022
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] Development of the web application for the analysis on the structure-function correlation of hemeproteins and its expansion for metalloproteins2022
- Author(s)
  Y. Kanematsu, H. X. Kondo, Y. Takano
- Organizer
  10th Asian Biological Inorganic Chemistry Conference (AsBIC10)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K14741
[Presentation] The minimum pathway search of the F-actin ATPase reaction2022
- Author(s)
  Y. Kanematsu, Y. Takano
- Organizer
  7th Japan-Thai workshop on Theoretical and Computational Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-22H04813
[Presentation] 重水素医薬品におけるH/D速度論的同位体効果の発現機構に関する理論的解析2022
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] CPLB法による氷の構造と物性に対する重水素効果の理論解析2022
- Author(s)
  下畑佑也、兼松佑典、David S. Rivera Rocabado、石元孝佳
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Development of the web application for the analysis on the structure-function correlation of hemeproteins and its expansion for metalloproteins2022
- Author(s)
  Y. Kanematsu, H. X. Kondo, Y. Takano
- Organizer
  10th Asian Biological Inorganic Chemistry Conference (AsBIC10)
- Data Source
  KAKENHI-PUBLICLY-22H04813
[Presentation] ヘムの構造機能相関解析ウェブアプリ『PyDISH』の開発2022
- Author(s)
  兼松佑典
- Organizer
  "医学と数理”（第３回京大―ハイデルベルク大―理研ワークショップ）
- Data Source
  KAKENHI-PUBLICLY-22H04813
[Presentation] 重水素医薬品の代謝におけるH/D速度論的同位体効果の発現機構に関する理論的解析2022
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  2022年日本化学中国四国支部大会　広島大会
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 量子多成分系分子理論における赤外分光計算の条件検討2022
- Author(s)
  片岡和樹、兼松佑典、石元孝佳
- Organizer
  第22回大つくば物理化学セミナー
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] CPLB法による氷の構造と物性に対する重水素効果の理論解析2022
- Author(s)
  下畑佑也、兼松佑典、David S. Rivera Rocabado、石元孝佳
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] CPLB法を用いた氷の重水素効果に対する理論的解析2022
- Author(s)
  下畑佑也、兼松佑典、David Samuel Rivera Rocabado、石元孝佳
- Organizer
  2022年日本化学中国四国支部大会　広島大会
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] ヘムの構造機能相関解析ウェブアプリ『PyDISH』の開発2022
- Author(s)
  兼松佑典
- Organizer
  "医学と数理”（第３回京大―ハイデルベルク大―理研ワークショップ）
- Data Source
  KAKENHI-PROJECT-21K14741
[Presentation] 金属酵素タンパク質解析ウェブアプリケーションの開発2022
- Author(s)
  兼松佑典、石元孝佳、鷹野優
- Organizer
  第45回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PROJECT-21K14741
[Presentation] 重水素医薬品の代謝におけるH/D速度論的同位体効果の発現機構に関する理論的解析2022
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  2022年日本化学会中国四国支部大会広島大会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 量子多成分系分子理論における赤外分光計算の条件検討2022
- Author(s)
  片岡和樹、兼松佑典、石元孝佳
- Organizer
  第22回大つくば物理化学セミナー
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 機械学習を用いたヘムの構造にもとづくヘムタンパク質の機能分類2021
- Author(s)
  藤川ひな子，近藤寛子，兼松佑典，鷹野優
- Organizer
  第44回日本生体医工学会中国四国支部大会
- Data Source
  KAKENHI-PROJECT-21K14741
[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-21K14741
[Presentation] 励起状態分子内プロトン移動反応に対するH/D同位体効果の理論的解析2021
- Author(s)
  服部郁美、兼松佑典、石元孝佳、立川仁典、宇田川太郎
- Organizer
  第1回若手重水素研究会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 励起状態分子内プロトン移動反応に対するH/D同位体効果の理論的解析2021
- Author(s)
  服部郁美、兼松佑典、石元孝佳、立川仁典、宇田川太郎
- Organizer
  第1回若手重水素研究会
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 三態の水に現れる水素原子核の量子効果2021
- Author(s)
  兼松佑典、下畑佑也、石元孝佳
- Organizer
  日本コンピュータ化学会2021年秋季年会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 重水素医薬品におけるH/D速度論的同位体効果の発現機構に関する理論的解析2021
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  第21回大つくば物理化学セミナー
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 金属酵素の活性発現機構に関する多角的な理論解析2021
- Author(s)
  兼松佑典
- Organizer
  第2回Deut-Switchセミナー
- Invited
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 分子内プロトン移動反応に対する水素原子核の量子効果とH/D同位体効果の理論的解析2021
- Author(s)
  服部郁美、兼松佑典、石元孝佳、立川仁典、宇田川太郎
- Organizer
  第11回CSJ化学フェスタ
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] ヘムタンパク質におけるタンパク質ポケットとヘムの歪みの相関の解析2021
- Author(s)
  近藤寛子，飯塚博幸，舛本現，兼松佑典，鷹野優
- Organizer
  第47回生体分子科学討論会
- Data Source
  KAKENHI-PROJECT-21K14741
[Presentation] CPLB法による氷の構造と物性に対する重水素効果の理論解析2021
- Author(s)
  下畑佑也、兼松佑典、石元孝佳
- Organizer
  第21回大つくば物理化学セミナー
- Data Source
  KAKENHI-PLANNED-20H05739
[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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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] 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

1. Ishimoto Takayoshi (50543435)

# of Collaborated Projects: 2 results

# of Collaborated Products: 21 results
2. Udagawa Taro (70509356)

# of Collaborated Projects: 2 results

# of Collaborated Products: 4 results
3. Takano Yu (30403017)

# of Collaborated Projects: 1 results

# of Collaborated Products: 34 results
4. 石北央 (00508111)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
5. 米澤康滋 (40248753)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
6. 齋藤徹 (80747494)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
7. RiveraRocabado DavidSamuel (00865298)

# of Collaborated Projects: 1 results

# of Collaborated Products: 6 results
8. SHIGETA yasuteru

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
9. KAMIYA katsumasa

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
10. SHOJI mitsuo

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
11. KONDO hiroko x.

# of Collaborated Projects: 1 results

# of Collaborated Products: 15 results
12. YAMADA Hiroko

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
13. 郷原一寿

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
14. 森次圭

# of Collaborated Projects: 0 results

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

# of Collaborated Projects: 0 results

# of Collaborated Products: 4 results

kanematsu Yusuke 兼松 佑典

Kanematsu Yusuke 兼松 佑典

兼松 佑典 カネマツ ユウスケ

Research Projects

Research Products

Co-Researchers

量子化学と統計科学の併用による金属酵素の解析Principal Investigator

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Development of CPLB method of properties and reactivities related hydrogen near the metal nanoparticle surfaces

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Development of multicomponent quantum mechanics methods for analyzing excited state chemical reactions

Principal Investigator

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Development of PyDISH, the analytic tool of the structure-function relationship for hemePrincipal Investigator

Principal Investigator

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Construction of basic theory for deuterium science and creation of new concept

Principal Investigator

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

Principal Investigator

Project Period (FY)

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Review Section

Research Institution

[Journal Article] Prediction of Protein Function from Tertiary Structure of the Active Site in Heme Proteins by Convolutional Neural Network2023

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[Journal Article] Computational analysis of H/D isotope effect on adsorption of water and its dissociated species on Pt(111) surface2023

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[Journal Article] Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice Ih2023

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[Journal Article] Computational Exploration of Minimum Energy Reaction Pathway of N2O Formation from Intermediate I of P450nor Using an Active Center Model2023

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[Journal Article] Random Forest Classifier of Heme Proteins Using Porphyrin Distortions and Axial Ligands of Heme2023

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[Journal Article] Exploring the Impact of H/D Isotope Effects of Hydrogen Bond Properties in Water Dimer, Trimer, and Water Adsorption on the Ice Ih(0001) Surface2023

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[Journal Article] Global Analysis of Heme Proteins Elucidates the Correlation between Heme Distortion and the Heme-Binding Pocket2022

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[Journal Article] Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron‐induced intramolecular proton transfer reactions in 8‐hydroxyquinoline2022

Author(s)

Journal Title

kanematsu Yusuke 兼松佑典

Kanematsu Yusuke 兼松佑典

兼松佑典カネマツユウスケ