saito hiroaki 齋藤大明

… Alternative Names

SAITO Hiroaki 齋藤大明

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Researcher Number	40506820
Other IDs
External Links
Affiliation (Current)	2025: 北陸大学, 薬学部, 准教授
Affiliation (based on the past Project Information) *help	2020 – 2023: 北陸大学, 薬学部, 准教授 2018 – 2019: 国立研究開発法人理化学研究所, 生命機能科学研究センター, 研究員 2017: 金沢大学, 理工研究域数物科学系, 助教 2016 – 2017: 国立研究開発法人理化学研究所, 生命システム研究センター, 研究員 2011 – 2015: 金沢大学, 数物科学系, 助教
Review Section/Research Field	Principal Investigator Science and Engineering / Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related Except Principal Investigator Biological physics/Chemical physics/Soft matter physics / Polymer chemistry
Keywords	Principal Investigator 分子動力学法 / 分子シミュレーション / 自由エネルギー / 機械学習 / 分子ドッキング / タンパク質 / ペプチド / 脂質二重層膜 / 化学コミュミケーション / 分子モデリング … More / 膜貫通ペプチド / 脂質フリップ / 深層学習 / インシリコ創薬 / 分子動力学シミュレーション / 自由エネルギー計算 / 分子ドッキング法 / 結合自由エネルギー / グラミシジン / 分子動力学 / 溶媒和自由エネルギー / イオンチャネル / 膜タンパク質 … More Except Principal Investigator シトクロムb6/f / 酸化還元電位 / 光照射ストレス / 拡散過程 / シトクロムf / プラストシアニン / 会合解離過程 / 電子伝達体 / 光化学反応 / ミセル / 脂質 / 脂質ミセル / 高分子 / 自己組織化 / 分子動力学シミュレーション / 引き込み現象 Less

生体膜に会合する化学コミュニケーション分子の機能解明と計算分子設計技術の開発Principal Investigator
- Principal Investigator
  
  齋藤大明
- Project Period (FY)
  2020 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Hokuriku University
In silico molecular design of transmembrane peptide induces lipid flippingPrincipal Investigator
- Principal Investigator
  
  Saito Hiroaki
- Project Period (FY)
  2019 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Hokuriku University
  Institute of Physical and Chemical Research
In silico molecular design by means of deep learning and molecular simulationPrincipal Investigator
- Principal Investigator
  
  齋藤大明
- Project Period (FY)
  2018 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Research Institution
  Institute of Physical and Chemical Research
Development of target-based molecular docking method by means of machine learning and molecular simulationPrincipal Investigator
- Principal Investigator
  
  Saito Hiroaki
- Project Period (FY)
  2016 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Institute of Physical and Chemical Research
ドッキングと分子シミュレーションの連帯によるタンパク質複合体の高精度構造予測Principal Investigator
- Principal Investigator
  
  齋藤大明
- Project Period (FY)
  2014 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Kanazawa University
Theoretical study on dynamics of electron carriers in photosynthesis stressed by light irradiation
- Principal Investigator
  
  Nagao Hidemi
- Project Period (FY)
  2014 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Biological physics/Chemical physics/Soft matter physics
- Research Institution
  Kanazawa University
Theoretical studies on possibility of the entrainment in molecular systems
- Principal Investigator
  
  NAGAO Hidemi
- Project Period (FY)
  2011 – 2012
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Polymer chemistry
- Research Institution
  Kanazawa University
Molecualr dynamics study on the molecuar permeability of membrane proteinPrincipal Investigator
- Principal Investigator
  
  SAITO Hiroaki
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kanazawa University

All 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 Other

All Journal Article Presentation

[Journal Article] Subtype-selective agonists of plant hormone co-receptor COI1-JAZs identified from the stereoisomers of coronatine2023
- Author(s)
  Hayashi Kengo、Kato Nobuki、Bashir Khurram、Nomoto Haruna、Nakayama Misuzu、Chini Andrea、Takahashi Satoshi、Saito Hiroaki、Watanabe Raku、Takaoka Yousuke、Tanaka Maho、Nagano Atsushi J.、Seki Motoaki、Solano Roberto、Ueda Minoru
- Journal Title
  
  Communications Biology
  
  Volume: 6 Issue: 1 Pages: 320-320
- DOI
  10.1038/s42003-023-04709-1
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06407, KAKENHI-PROJECT-22KK0076, KAKENHI-PROJECT-19K05378, KAKENHI-PROJECT-20H00402, KAKENHI-PUBLICLY-21H00270, KAKENHI-PROJECT-23K23473
[Journal Article] Discovery of a cystathionine γ-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5′-phosphate (PLP) via Schiff base formation2023
- Author(s)
  Echizen Honami、Hanaoka Kenjiro、Shimamoto Kazuhito、Hibi Ryota、Toma-Fukai Sachiko、Ohno Hisashi、Sasaki Eita、Komatsu Toru、Ueno Tasuku、Tsuchiya Yukihiro、Watanabe Yasuo、Otsuka Takao、Saito Hiroaki、Nagatoishi Satoru、Tsumoto Kouhei、Kojima Hirotatsu、Okabe Takayoshi、Shimizu Toshiyuki、Urano Yasuteru
- Journal Title
  
  Scientific Reports
  
  Volume: 13 Issue: 1 Pages: 16456-16456
- DOI
  10.1038/s41598-023-43536-6
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K05378, KAKENHI-ORGANIZER-21H05258, KAKENHI-PLANNED-21H05262, KAKENHI-PROJECT-19H05632, KAKENHI-PROJECT-23K27304
[Journal Article] Molecular dynamics study of lipid bilayer asymmetry induced by ion concentration gradient and electronic polarizability2022
- Author(s)
  Kawaguchi Kazutomo、Ito Seiichiro、Saito Hiroaki、Nagao Hidemi
- Journal Title
  
  Molecular Simulation
  
  Volume: 48 Issue: 6 Pages: 477-483
- DOI
  10.1080/08927022.2022.2025798
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-20H04791, KAKENHI-PROJECT-19K05378
[Journal Article] Design, Synthesis, and Antifungal Activity of 16,17-Dihydroheronamide C and <i>ent</i>-Heronamide C2021
- Author(s)
  Kanoh Naoki、Terashima Ryusei、Nishiyama Hiromichi、Terajima Yuta、Nagasawa Shota、Sasano Yusuke、Iwabuchi Yoshiharu、Saito Hiroaki、Egoshi Syusuke、Dodo Kosuke、Sodeoka Mikiko、Pan Chengqian、Ikeuchi Yoshinobu、Nishimura Shinichi、Kakeya Hideaki
- Journal Title
  
  The Journal of Organic Chemistry
  
  Volume: 86 Issue: 23 Pages: 16249-16258
- DOI
  10.1021/acs.joc.1c01761
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K06990, KAKENHI-PLANNED-17H06401, KAKENHI-PUBLICLY-20H04791, KAKENHI-PROJECT-19H03347, KAKENHI-PROJECT-19K05378, KAKENHI-PROJECT-20K15418
[Journal Article] Extended JAZ degron sequence for plant hormone binding in jasmonate co-receptor of tomato SlCOI1-SlJAZ2021
- Author(s)
  Saito Rina、Hayashi Kengo、Nomoto Haruna、Nakayama Misuzu、Takaoka Yousuke、Saito Hiroaki、Yamagami Souhei、Muto Toshiya、Ueda Minoru
- Journal Title
  
  Scientific Reports
  
  Volume: 11 Issue: 1 Pages: 13612-13612
- DOI
  10.1038/s41598-021-93067-1
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H00885, KAKENHI-PROJECT-18KK0162, KAKENHI-PLANNED-17H06407, KAKENHI-PROJECT-19J11001, KAKENHI-PUBLICLY-20H04791, KAKENHI-PROJECT-19K05378, KAKENHI-PUBLICLY-21H00270, KAKENHI-PROJECT-18H02101
[Journal Article] Structural Feature of Lipid Scrambling Model Transmembrane Peptides: Same-Side Positioning of Hydrophilic Residues and Their Deeper Position2020
- Author(s)
  Nakao Hiroyuki、Sugimoto Yuta、Ikeda Keisuke、Saito Hiroaki、Nakano Minoru
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 11 Issue: 5 Pages: 1662-1667
- DOI
  10.1021/acs.jpclett.0c00175
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05378, KAKENHI-PROJECT-19K16086, KAKENHI-PUBLICLY-18H04636, KAKENHI-PROJECT-17H02941, KAKENHI-PROJECT-16K05648
[Journal Article] Molecular dynamics study of binary POPC bilayers: molecular condensing effects on membrane structure and dynamics2018
- Author(s)
  Hiroaki Saito, Tetsuya Morishita, Taku Mizukami, Ken-ichi Nishiyama, Kazutomo Kawaguchi, Hidemi Nagao
- Journal Title
  
  Journal of Physics: Conference Series
  
  Volume: 印刷中
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26400429
[Journal Article] Oxygen reduction reaction of FeN4 center embedded in graphene and carbon nanotube: Density functional calculations2018
- Author(s)
  Aoyama Syuya、Kaiwa Jun、Chantngarm Peerasak、Tanibayashi Satoru、Saito Hiroaki、Hasegawa Masayuki、Nishidate Kazume
- Journal Title
  
  AIP Advances
  
  Volume: 8 Issue: 11 Pages: 115113-115113
- DOI
  10.1063/1.5053151
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05648, KAKENHI-PUBLICLY-18H04636
[Journal Article] Effect of Hydrophilic Residues and Hydrophobic Length on Flip-Flop Promotion by Transmembrane Peptides2018
- Author(s)
  Hiroyuki Nakao, Chihiro Hayashi, Keisuke Ikeda, Hiroaki Saito, Hidemi Nagao, Minoru Nakano
- Journal Title
  
  Journal of Physical Chemistry B
  
  Volume: 122 Issue: 15 Pages: 318-4324
- DOI
  10.1021/acs.jpcb.8b00298
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05648, KAKENHI-PROJECT-16K18860, KAKENHI-PUBLICLY-18H04636, KAKENHI-PROJECT-17H02941, KAKENHI-PROJECT-17H06704
[Journal Article] Molecular dynamics study of binary POPC bilayers: molecular condensing effects on membrane structure and dynamics2018
- Author(s)
  Hiroaki Saito, Tetsuya Morishita, Taku Mizukami, Ken-ichi Nishiyama, Kazutomo Kawaguchi, Hidemi Nagao
- Journal Title
  
  Journal of Physics: Conference Series
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05648
[Journal Article] Molecular dynamics study of binary POPC bilayers: molecular condensing effects on membrane structure and dynamics2018
- Author(s)
  Saito Hiroaki、Morishita Tetsuya、Mizukami Taku、Nishiyama Ken-ichi、Kawaguchi Kazutomo、Nagao Hidemi
- Journal Title
  
  Journal of Physics: Conference Series
  
  Volume: 1136 Pages: 012022-012022
- DOI
  10.1088/1742-6596/1136/1/012022
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15KT0073, KAKENHI-PROJECT-16K05648, KAKENHI-PROJECT-18KK0197, KAKENHI-PUBLICLY-18H04636, KAKENHI-PROJECT-17H02209
[Journal Article] A rationally designed JAZ subtype-selective agonist of jasmonate perception2018
- Author(s)
  Takaoka Yousuke、Iwahashi Mana、Chini Andrea、Saito Hiroaki、Ishimaru Yasuhiro、Egoshi Syusuke、Kato Nobuki、Tanaka Maho、Bashir Khurram、Seki Motoaki、Solano Roberto、Ueda Minoru
- Journal Title
  
  Nature Communications
  
  Volume: 9 Issue: 1 Pages: 1-13
- DOI
  10.1038/s41467-018-06135-y
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05648, KAKENHI-PUBLICLY-18H04636, KAKENHI-PROJECT-16K08172
[Journal Article] Effect of Hydrophilic Residues and Hydrophobic Length on Flip-Flop Promotion by Transmembrane Peptides2018
- Author(s)
  Hiroyuki Nakao, Chihiro Hayashi, Keisuke Ikeda, Hiroaki Saito, Hidemi Nagao, Minoru Nakano
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 印刷中
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26400429
[Journal Article] Cholesterol blocks spontaneous insertion of membrane proteins into liposomes of phosphatidylcholine2018
- Author(s)
  Shota Nakamura, Sonomi Suzuki, Hiroaki Saito and Ken-ichi Nishiyama
- Journal Title
  
  The Journal of Biochemistry
  
  Volume: 163 Issue: 4 Pages: 313-319
- DOI
  10.1093/jb/mvx083
- NAID
  40021524045
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K05648, KAKENHI-PUBLICLY-16H01374, KAKENHI-PROJECT-16K15083, KAKENHI-PROJECT-15KT0073, KAKENHI-PROJECT-18KK0197, KAKENHI-PROJECT-17H02209
[Journal Article] A Novel Nuclear Receptor Ligand, Digoxigenin, is a Selective Antagonist of Liver-X-receptors2017
- Author(s)
  H. Oishi, Y. Takaoka, T. Nishimaki-Mogami, H. Saito, M. Ueda
- Journal Title
  
  Chem. Lett.
  
  Volume: 46 Issue: 3 Pages: 313-314
- DOI
  10.1246/cl.161071
- NAID
  130005436551
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-23102012, KAKENHI-PROJECT-25708026, KAKENHI-PROJECT-16K05648
[Journal Article] A simple coarse-grained model for interacting protein complex2017
- Author(s)
  Kazutomo Kawaguchi, Satoshi Nakagawa, Shogo Kinoshita, Makoto Wada, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  Molecular Physics
  
  Volume: 115 Issue: 5 Pages: 587-597
- DOI
  10.1080/00268976.2016.1234652
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-16K05648, KAKENHI-PROJECT-26400429
[Journal Article] Dual function of coronatine as a bacterial virulence factor against plants: possible COI1-JAZ- independent role2016
- Author(s)
  Syusuke Egoshi,Yousuke Takaoka, Hiroaki Saito, Yuuki Nukadzuka, Kengo Hayashi, Yasuhiro Ishimaru, Hiroyuki Yamakoshi, Kosuke Dodo, Mikiko Sodeoka and Minoru Ueda
- Journal Title
  
  RSC Adv.
  
  Volume: 6 Issue: 11 Pages: 19404-19412
- DOI
  10.1080/08927022.2015.1102249
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-26102722, KAKENHI-PROJECT-26400429
[Journal Article] Decomposition analysis of free energy profile for Hsp90-ADP association2016
- Author(s)
  Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  Molecular Simulation
  
  Volume: 未定
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26400429
[Journal Article] Tuning the Work Function of Graphene with the Adsorbed Organic Molecules: First-Principles Calculations2016
- Author(s)
  Kazume Nishidate, Noriyuki Yoshimoto, Peerasak Chantngarm, Hiroaki Saito, Masayuki Hasegawa
- Journal Title
  
  Mol. Phys.
  
  Volume: 114 Issue: 20 Pages: 2993-2998
- DOI
  10.1080/00268976.2016.1213437
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K04647, KAKENHI-PROJECT-16K05648
[Journal Article] A hybrid-type approach with MD and DFT calculations for evaluation of redox potential of molecules2015
- Author(s)
  Masashi Iwayama, Isman Kurniawan , Kazutomo Kawaguchi , Hiroaki Saito and Hidemi Nagao
- Journal Title
  
  Molecular Simulation
  
  Volume: 41 Issue: 10-12 Pages: 936-941
- DOI
  10.1080/08927022.2015.1012641
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-26102722, KAKENHI-PROJECT-26400429
[Journal Article] 分子ドッキング法を用いたリガンド結合構造予測と分子認識2015
- Author(s)
  齋藤大明
- Journal Title
  
  アンサンブル
  
  Volume: Vol. 17, No.2 Pages: 77-82
- NAID
  130005150057
- Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-26102722
[Journal Article] NAMDを用いた分子動力学2015
- Author(s)
  齋藤大明
- Journal Title
  
  高分子
  
  Volume: 64 Pages: 153-155
- Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-26102722
[Journal Article] NAMDを用いたタンパク質の分子動力学法2015
- Author(s)
  齋藤大明
- Journal Title
  
  高分子
  
  Volume: vol.64 Pages: 153-155
- Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-26102722
[Journal Article] Molecular Dynamics Study of Gramicidin A in Lipid Bilayer : Electrostatic Map and Ion Conduction2014
- Author(s)
  Hiroaki SAITO, Masashi IWAYAMA, Kazutomo KAWAGUCHI, Taku MIZUKAMI, Takeshi MIYAKAWA, Masako TAKASU, and Hidemi NAGAO
- Journal Title
  
  JPS Conf. Proc
  
  Volume: 012053
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Network of water molecules around guanine nucleotide in the Hras-GTP and-GDP complexes by MD simulations2014
- Author(s)
  Takeshi Miyakawa, Ryota Morikawa, Masako Takasu, Kimikazu Sugimori, Tomokazu Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  JPS Conf. Proc
  
  Volume: 016006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Analysis of water molecules around GTP in Hras-GTP complex and GDP in Hras-GDP complex by molecular dynamics simulations2014
- Author(s)
  T.　Miyakawa
- Journal Title
  
  MOLECULAR PHYSICS
  
  Volume: 112 Issue: 3-4 Pages: 526-532
- DOI
  10.1080/00268976.2013.852697
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350064, KAKENHI-PROJECT-23750008, KAKENHI-PROJECT-24540442, KAKENHI-PUBLICLY-26102722, KAKENHI-PROJECT-26400429
[Journal Article] Π-stacking Interaction between Heterocyclic Rings in a Reaction Field of Biological System2014
- Author(s)
  Muhamad KOYIMATU, Hideto SHIMAHARA, Kimikazu SUGIMORI, Kazutomo KAWAGUCHI, Hiroaki SAITO, and Hidemi NAGAO
- Journal Title
  
  JPS Conf. Proc
  
  Volume: 012055
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Network of water molecules around guanine nucleotide in the Hras-GTP and -GDP complexes by MD simulations2014
- Author(s)
  Takeshi Miyakawa, Ryota Morikawa, Masako Takasu, Kimikazu Sugimori, Tomokazu Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  JPS Conf. Proc.
  
  Volume: volume 1 Pages: 16006-16006
- DOI
  10.7566/jpscp.1.016006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008, KAKENHI-PROJECT-24540442, KAKENHI-PROJECT-26400429
[Journal Article] Molecular Dynamics Study of Hsp90 and ADP: Hydrogen Bond Analysis for ADP Dissociation2014
- Author(s)
  Kazutomo KAWAGUCHI, Hiroaki SAITO, Hidemi NAGAO
- Journal Title
  
  JPS Conf. Proc.
  
  Volume: volume 1 Pages: 012056-012056
- DOI
  10.7566/jpscp.1.012056
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008, KAKENHI-PROJECT-26400429
[Journal Article] Molecular Dynamics Study of Gramicidin A in Lipid Bilayer: Electrostatic Map and Ion Conduction2014
- Author(s)
  Hiroaki SAITO, Masashi IWAYAMA, Kazutomo KAWAGUCHI, Taku MIZUKAMI, Takeshi MIYAKAWA, Masako TAKASU, and Hidemi NAGAO
- Journal Title
  
  JPS Conf. Proc
  
  Volume: volume 1 Pages: 012053-012053
- DOI
  10.7566/jpscp.1.012053
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23750008, KAKENHI-PROJECT-25650050, KAKENHI-PROJECT-26400429
[Journal Article] Analysis of water molecules around GTP in Hras-GTP complex and GDP in Hras-GDP complex by molecular dynamics simulations2014
- Author(s)
  Takeshi Miyakawa, Ryota Morikawa, Masako Takasu, Kimikazu Sugimori, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  Mol. Phys
  
  Volume: 112 Pages: 526-532
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Study of Hsp90 and ADP : Hydrogen Bond Analysis for ADP Dissociation2014
- Author(s)
  Kazutomo KAWAGUCHI, Hiroaki SAITO, Hidemi NAGAO
- Journal Title
  
  JPS Conf. Proc
  
  Volume: 012056
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Π-stacking Interaction between Heterocyclic Rings in a Reaction Field of Biological System2014
- Author(s)
  Muhamad KOYIMATU, Hideto SHIMAHARA, Kimikazu SUGIMORI, Kazutomo KAWAGUCHI, Hiroaki SAITO, and Hidemi NAGAO
- Journal Title
  
  JPS Conf. Proc.
  
  Volume: volume 1
- DOI
  10.7566/jpscp.1.012055
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008, KAKENHI-PROJECT-24550173
[Journal Article] Protein--protein interactions of Azurin complex in liquid system2014
- Author(s)
  Micke Rusmerryani, Masako Takasu, Kazutomo Kawaguchi, Hiroaki Saito, and Hidemi Nagao
- Journal Title
  
  JPS Conf. Proc.
  
  Volume: volume 1
- DOI
  10.7566/jpscp.1.012054
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Protein--protein interactions of Azurin complex in liquid system2014
- Author(s)
  Micke Rusmerryani, Masako Takasu, Kazutomo Kawaguchi, Hiroaki Saito, and Hidemi Nagao
- Journal Title
  
  JPS Conf. Proc
  
  Volume: 012054
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Conformational Stability of Met20 Loop of DHFR:A molecular Dynamics Study2013
- Author(s)
  Megumi Nishimura, Hiroaki Saito, Kazutomo Kawaguchi, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc.
  
  Volume: 1518 Pages: 654-657
- DOI
  10.1063/1.4794654
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Analysis of water molecules in the Hras-GTP and GDP complexes with molecular dynamics simulations2013
- Author(s)
  T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito and Hidemi Nagao
- Journal Title
  
  Progress in Theoretical Chemistry and Physics
  
  Volume: 27 Pages: 351-360
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular dynamics studies of Hsp90 with ADP: protein-ligand binding dynamics2013
- Author(s)
  Kazutomo Kawaguchi, Hiroyuki Takagi, Masako Takasu, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc.
  
  Volume: 1518 Pages: 637-640
- DOI
  10.1063/1.4794650
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular dynamics study on the free energy profile for dissociation of ADP from N-terminal domain of Hsp902013
- Author(s)
  Kazutomo Kawaguchi, Hiroaki Saito, Susumu Okazaki, Hidemi Nagao
- Journal Title
  
  Chem. Phys. Lett
  
  Volume: 588 Pages: 226-230
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Structure and Hydration Free Energy of Ketone Compound in Neutral and Cationic State by Molecular Dynamics Simulation2013
- Author(s)
  Masashi Iwayama, Kazutomo Kawaguchi, Hiroaki Saito and Hidemi Nagao
- Journal Title
  
  Recent Development in Computational Science
  
  Volume: 4 Pages: 59-70
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Theoretical Model for Assessing Properties of Local Structures in Metalloprotein2013
- Author(s)
  Muhamad Koyimatu, Hideto Shimahara, Masashi Iwayama, Kimikazu Sugimori, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc.
  
  Volume: 1518 Pages: 626-629
- DOI
  10.1063/1.4794647
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008, KAKENHI-PROJECT-24550173
[Journal Article] Molecular Dynamics Simulations of the Hras-GTP complex and the Hras-GDP complex2013
- Author(s)
  Takeshi Miyakawa, Ryota Morikawa, Masako Takasu, Kimikazu Sugimori, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  Int. J. Quantum Chem
  
  Volume: 113 Pages: 2333-2337
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] A molecular dynamics study of Hras-GTP and GDP complexes: the properties of water molecules around guanine nucleotide2013
- Author(s)
  T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito, H. Nagao
- Journal Title
  
  AIP Conf. Proc.
  
  Volume: 1518 Pages: 594-597
- DOI
  10.1063/1.4794639
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Coarse-grained Simulation of Azurin Crystal Complex System : Protein-protein Interactions2013
- Author(s)
  Micke Rusmerryani, Masako Takasu, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  Recent Development in Computational Science
  
  Volume: 4 Pages: 79-86
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Theoretical Study on Entrainment Phenomenon in Model Molecular Systems2013
- Author(s)
  H. Nagao, S. Kawamoto, M. Rusmerryani, A. Purqon, K. Kawaguchi, H. Saito
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 1518 Pages: 729-732
- DOI
  10.1063/1.4794669
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101, KAKENHI-PROJECT-23750008
[Journal Article] Evaluation of scoring functions for protein-ligand docking2013
- Author(s)
  Meidy T. Pakpahan, Micke Rusmerryani, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc.
  
  Volume: 1518 Pages: 645-648
- DOI
  10.1063/1.4794652
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular dynamics study on the free energy profile for dissociation of ADP from N-terminal domain of Hsp902013
- Author(s)
  Kazutomo Kawaguchi, Hiroaki Saito, Susumu Okazaki, Hidemi Nagao
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 588 Pages: 226-230
- DOI
  10.1016/j.cplett.2013.10.015
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Simulations of the Hras-GTP complex and the Hras-GDP complex2013
- Author(s)
  Takeshi Miyakawa, Ryota Morikawa, Masako Takasu, Kimikazu Sugimori, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  Int. J. Quantum Chem.
  
  Volume: 113 Issue: 21 Pages: 2333-2337
- DOI
  10.1002/qua.24457
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Study on Binding Free Energy of Azurin?Cytochrome c551 Complex2013
- Author(s)
  Hiroaki Saito, Masashi Iwayama, Taku Mizukami, Jiyoung Kang, Masaru Tateno, Hidemi Nagao
- Journal Title
  
  Chem. Phys. Lett
  
  Volume: 556 Pages: 297-302
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Transition State Analysis of Azurin via Go-like Model2013
- Author(s)
  Micke Rusmerryani, Meidy T. Pakpahan, Megumi Nishimura, Masako Takasu, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc.
  
  Volume: 1518 Pages: 641-644
- DOI
  10.1063/1.4794651
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Study of Electrostatic Potential along Lipid Bilayer with Gramicidin A2013
- Author(s)
  Hiroaki Saito, Megumi Nishimura, Hiroyuki Takagi, Takeshi Miyakawa, Kazutomo Kawaguchi, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc.
  
  Volume: 1518 Pages: 633-636
- DOI
  10.1063/1.4794649
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Computational Study of Oxidation Potential of Ketone Molecule2013
- Author(s)
  Isman Kurniawan, Hiroaki Saito, Kazuto Kawaguchi, Hidemi Nagao
- Journal Title
  
  Recent Development in Computational Science
  
  Volume: 4 Pages: 45-52
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Binding Free Energy of Protein-Ligand by Combining Docking and MD Simulation : A Comparison of Calculation Methods2013
- Author(s)
  Meidy Triana Pakpahan, Hiroaki Saito, Kazutomo Kawaguchi, Hidemi Nagao
- Journal Title
  
  Recent Development in Computational Science
  
  Volume: 4 Pages: 71-78
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Theoretical study of a π-stacking interaction in carbonic anhydrase2013
- Author(s)
  Muhamad Koyimatu, Hideto Shimahara, Kazutomo Kawaguchi, Hirosaki Saito, Kimikazu Sugimori, Hidemi Nagao
- Journal Title
  
  Recent Development in Computational Science
  
  Volume: 4 Pages: 87-94
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Analyses of the Dissociation Process of ADP from Hsp902012
- Author(s)
  K. Kawaguchi, H. Takagi, M. Iwayama, M.Nishimura, T. Miyakawa, H. Saito, M. Takasu, H.Nagao
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Issue: 24 Pages: 3791-3795
- DOI
  10.1002/qua.24229
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101, KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Studies of Lipid Bilayer with Gramicidin A: Effects of Gramicidin A on Membrane Structure and Hydrophobic Match2012
- Author(s)
  Hiroaki Saito, Taku Mizukami, Shuhei Kawamoto, Takeshi Miyakawa, Masashi Iwayama, Masako Takasu, Hidemi Nagao
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Issue: 1 Pages: 161-170
- DOI
  10.1002/qua.23252
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101, KAKENHI-PROJECT-23750008
[Journal Article] Free energy of cell-penetrating peptide through lipid bilayer membrane: coarse-grained model simulation2012
- Author(s)
  S. Kawamoto, M. Takasu, T. Miyakawa, T. Oda, H. Saito, S. Futaki, H. Nagao, W. Shinoda
- Journal Title
  
  Progress in Theoretical Chemistry and Physics
  
  Volume: 26 Pages: 503-511
- DOI
  10.1007/978-94-007-5297-9_29
- ISBN
  9789400752962, 9789400752979
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Study of Glutathione S-transferase : Structure and Binding Character of Glutathione2012
- Author(s)
  Y. Omae, H. Saito, H. Takagi, M. Nishimura, M. Iwayama, K. Kawaguchi, H. Nagao
- Journal Title
  
  Progress in Theoretical Chemistry and Physics
  
  Volume: 26 Pages: 545-553
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Study of Gramicidin A in Lipid Bilayer: Structure and Lateral Pressure Profile2012
- Author(s)
  H. Saito, M. Iwayama, H. Takagi, M. Nishimura, T. Miyakawa, K. Kawaguchi, M. Takasu, T. Mizukami, H. Nagao
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Issue: 24 Pages: 3834-3839
- DOI
  10.1002/qua.24248
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101, KAKENHI-PROJECT-23750008
[Journal Article] Free energy of cell-penetrating peptide through lipid bilayer membrane : coarse-grained model simulation2012
- Author(s)
  S. Kawamoto, M. Takasu, T. Miyakawa, T. Oda, H. Saito, S. Futaki, H. Nagao, W. Shinoda
- Journal Title
  
  Progress in Theoretical Chemistry and Physics
  
  Volume: 26 Pages: 503-511
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular dynamics studies of lipid bilayer with gramicidin A : effects of gramicidin A on membrane structure and hydrophobic match2012
- Author(s)
  Hiroaki Saito, Taku Mizukami, Shuhei Kawamoto, Takeshi Miyakawa, Masashi Iwayama, Masako Takasu, Hidemi Nagao
- Journal Title
  
  Int. J. Quantum Chem
  
  Volume: 112 Pages: 161-170
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] The potentials of the atoms around Mg2+ in the H-ras GTP complex and in the H-ras GDP complex2012
- Author(s)
  T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito and Hidemi Nagao
- Journal Title
  
  Progress in Theoretical Chemistry and Physics
  
  Volume: 26 Pages: 525-543
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Solvation effect on the structural change of globular protein: a molecular dynamics study2012
- Author(s)
  Taku Mizukami, Hiroaki Saito, Shuhei Kawamoto, Takeshi Miyakawa, Masako Takasu, Hidemi Nagao
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Pages: 344-350
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101
[Journal Article] Cell penetrating peptide induces various deformations of lipid bilayer membrane: inverted micelle, double bilayer and trans-membrane2012
- Author(s)
  Shuhei Kawamoto, Takeshi Miyakawa, Masako Takasu, Ryota Morikawa, Tatsuki Oda, Hiroaki Saito, Shiroh Futaki, Hidemi Nagao
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Pages: 178-183
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101
[Journal Article] Molecular dynamics study of gramicidin a in lipid bilayer : Structure and lateral pressure profile2012
- Author(s)
  Hiroaki Saito, Masashi Iwayama, Hiroyuki Takagi, Megumi Nishimura, Takeshi Miyakawa, Kazutomo Kawaguchi, Masako Takasu, Taku Mizukami, H. Nagao
- Journal Title
  
  Int. J. Quantum Chem
  
  Volume: 112 Pages: 3834-3839
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Temperature Effects on Dynamics of Spherical Micelles : A Molecular Dynamics Study2012
- Author(s)
  Gia Septiana Wulandari, Micke Rusmerryani, Shuhei Kawamoto, Hiroaki Saito, Kiyoshi Nishikawa, Hidemi Nagao
- Journal Title
  
  Recent Development in Computational Science
  
  Volume: 2 Pages: 59-68
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Solvation Effect on the Structural Change of Globular Protein: A Molecular Dynamics Study2012
- Author(s)
  Taku Mizukami, Hiroaki Saito, Shuhei Kawamoto,Takeshi Miyakawa, Masashi Iwayama, Masako Takasu, Hidemi Nagao
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Issue: 1 Pages: 344-350
- DOI
  10.1002/qua.23251
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101, KAKENHI-PROJECT-23750008
[Journal Article] Cell penetrating peptide induces various deformations of lipid bilayer membrane : inverted micelle, double bilayer and trans-membrane2012
- Author(s)
  Shuhei Kawamoto, Takeshi Miyakawa, Masako Takasu, Ryota Morikawa, Tatsuki Oda, Hiroaki Saito, Shiroh Futaki, Hidemi Nagao
- Journal Title
  
  Int. J. Quantum Chem
  
  Volume: 112 Pages: 178-183
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular dynamics analyses of the dissociation process of ADP from Hsp902012
- Author(s)
  Kazutomo Kawaguchi, Hiroyuki Takagi, Masashi Iwayama, Takeshi Miyakawa, Hiroaki Saito, Masako Takasu, Hidemi Nagao
- Journal Title
  
  Int. J. Quantum Chem
  
  Volume: 112 Pages: 3791-3795
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Studies on Structure and Dynamics of Spherical Micelles2012
- Author(s)
  Micke Rusmerryani, Gia Septiana Wulandari, Shuhei Kawamoto, Hiroaki Saito, Kiyoshi Nishikawa, Hidemi Nagao
- Journal Title
  
  Recent Development in Computational Science
  
  Volume: 2 Pages: 69-77
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Study on Binding Free Energy of Azurin-Cytochrome c551 Complex2012
- Author(s)
  H. Saito, M. Iwayama, T. Mizukami, J. Kang, M.Tateno, H. Nagao
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 556 Pages: 297-302
- DOI
  10.1016/j.cplett.2012.12.016
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101, KAKENHI-PROJECT-23750008
[Journal Article] Cell-Penetrating Peptide Induces Various Deformations of Lipid Bilayer Membrane: Inverted Micelle,Double Bilayer, and Transmembrane2012
- Author(s)
  Shuhei Kawamoto, Takeshi Miyakawa, Masako Takasu, Ryota Morikawa, Tatsuki Oda, Shiroh Futaki, Hidemi Nagao
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Issue: 1 Pages: 178-183
- DOI
  10.1002/qua.23177
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101, KAKENHI-PROJECT-23750008
[Journal Article] Molecular dynamics studies of lipid bilayer with gramicidin A: effects of gramicidin A on membrane structure and hydrophobic match2012
- Author(s)
  Hiroaki Saito, Taku Mizukami, Shuhei Kawamoto, Takeshi Miyakawa, Masashi Iwayama, Masako Takasu, Hidemi Nagao
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Pages: 161-170
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655101
[Journal Article] Solvation effect on the structural change of globular protein : a molecular dynamics study2012
- Author(s)
  Taku Mizukami, Hiroaki Saito, Shuhei Kawamoto, Takeshi Miyakawa, Masako Takasu, Hidemi Nagao
- Journal Title
  
  Int. J. Quantum Chem
  
  Volume: 112 Pages: 344-350
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Study of Glutathione S-transferase: Structure and Binding Character of Glutathione2012
- Author(s)
  Y. Omae, H. Saito, H. Takagi, M. Nishimura, M. Iwayama, K. Kawaguchi, H. Nagao
- Journal Title
  
  Progress in Theoretical Chemistry and Physics
  
  Volume: 26 Pages: 545-553
- DOI
  10.1007/978-94-007-5297-9_32
- ISBN
  9789400752962, 9789400752979
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Cholesterol Effect on Water Permeability through DPPC and PSM Lipid Bilayers : A Molecular Dynamics Study2011
- Author(s)
  斎藤大明、篠田渉
- Journal Title
  
  Journal of Physical Chemistry B
  
  Volume: 115 Issue: 51 Pages: 15241-15250
- DOI
  10.1021/jp201611p
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350014, KAKENHI-PROJECT-23750008
[Journal Article] Cholesterol Effect on Water Permeability through DPPC and PSM Lipid Bilayers : A Molecular Dynamics Study2011
- Author(s)
  Hiroaki Saito, Wataru Shinoda
- Journal Title
  
  J. Phys. Chem. B
  
  Volume: 115 Pages: 15241-15250
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Theoretical Model for Assessing Properties of Local Structures in Metalloprotein
- Author(s)
  Muhamad Koyimatu, Hideto Shimahara, Masashi Iwayama, Kimikazu Sugimori, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc
  
  Volume: 1518 Pages: 626-629
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] A molecular dynamics study of Hras-GTP and GDP complexes : the properties of water molecules around guanine nucleotide
- Author(s)
  T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito, H. Nagao
- Journal Title
  
  AIP Conf. Proc
  
  Volume: 1518 Pages: 594-597
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular dynamics studies of Hsp90 with ADP : protein-ligand binding dynamics
- Author(s)
  Kazutomo Kawaguchi, Hiroyuki Takagi, Masako Takasu, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc
  
  Volume: 1518 Pages: 637-640
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Conformational Stability of Met20 Loop of DHFR : A molecular Dynamics Study
- Author(s)
  Megumi Nishimura, Hiroaki Saito, Kazutomo Kawaguchi, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc
  
  Volume: 1518 Pages: 654-657
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Transition State Analysis of Azurin via Go-like Model
- Author(s)
  Micke Rusmerryani, Meidy T. Pakpahan, Megumi Nishimura, Masako Takasu, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc
  
  Volume: 1518 Pages: 641-644
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Study on Entrainment Phenomenon in Model Molecular Systems
- Author(s)
  Hidemi Nagao, Michke Rusmerryani, Acep Purqon, Kazutomo Kawaguchi, Hiroaki Saito
- Journal Title
  
  AIP Conf. Proc
  
  Volume: 1518 Pages: 729-732
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Molecular Dynamics Study of Electrostatic Potential along Lipid Bilayer with Gramicidin A
- Author(s)
  Hiroaki Saito, Megumi Nishimura, Hiroyuki Takagi, Takeshi Miyakawa, Kazutomo Kawaguchi, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc
  
  Volume: 1518 Pages: 633-636
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Journal Article] Evaluation of scoring functions for protein-ligand docking
- Author(s)
  Meidy T. Pakpahan, Micke Rusmerryani, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Journal Title
  
  AIP Conf. Proc
  
  Volume: 1518 Pages: 645-648
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] ジャスモン酸受容体COI1-JAZ9選択的に作用するコロナチン立体異性体を用いたジャスモン酸シグナル伝達の化学遺伝学的解析2023
- Author(s)
  林謙吾、加藤信樹、Khurram Bashir, 野本春菜、中山美涼、Andrea Chini、高橋聡史、齋藤大明、渡部楽、高岡洋輔、田中真帆、永野惇、関原明、Roberto Solano、上田実
- Organizer
  第64回日本植物生理学会年会
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 分子動力学シミュレーションを用いた脂質フリップを誘起する膜貫通ペプチド二量体の膜内構造解析2023
- Author(s)
  齋藤大明, 中尾裕之, 中野実
- Organizer
  日本薬学会第144年会
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 分子シミュレーションを用いたHCov229E 3CLプロテアーゼとイソフラボン化合物の複合体構造解析2023
- Author(s)
  徳丸楓, 小田郁久美, 亀田翔吾, 大黒徹, 齋藤大明
- Organizer
  日本薬学会第144年会
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 分子動力学シミュレーションを用いたフラボノイドとチロシナーゼの結合解析2023
- Author(s)
  棚田真夕, 齋藤大明
- Organizer
  日本薬学会第144年会
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] コロナチン立体異性体フォーカスドライブラリーを用いたジャスモン酸受容体サブタイプ選択的リガンドの開発2022
- Author(s)
  林謙吾, 加藤信樹, 野本春菜, 中山美涼, Khurram Bashir, Andrea Chini, 高橋聡史, 齋藤大明, 渡部楽, 高岡洋輔, 田中真帆, 永野惇, 関原明, Roberto Solano, 上田実
- Organizer
  日本農芸学会2022
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と凝集性2022
- Author(s)
  齋藤大明, 叶直樹
- Organizer
  化学コミュニケーションのフロンティア取りまとめシンポジウム（第１０回公開シンポジウム）
- Invited
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] Brd4分解誘導剤MZ1を基盤とした三価PROTACテンプレートの設計と合成、活性評価2022
- Author(s)
  黄一帆、横江弘雅、相馬(海保) 愛、高橋万紀、平澤祐介、森田博史、齋藤大明、大竹史明、叶直樹
- Organizer
  日本ケミカルバイオロジー学会第16回年会
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 分子シミュレーションを用いた機能性分子の膜内構造と機能解明2022
- Author(s)
  齋藤大明
- Organizer
  日本薬学会北陸支部第134回例会
- Invited
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] コロナチン立体異性体フォーカスドライブラリーを用いたジャスモン酸受容体サブタイプ選択的リガンドの開発2022
- Author(s)
  林謙吾, 加藤信樹, 野本春菜, 中山美涼, Khurram Bashir, Andrea Chini, 高橋聡史, 齋藤大明, 渡部楽, 高岡洋輔, 田中真帆, 永野惇, 関原明, Roberto Solano, 上田実
- Organizer
  日本農芸学会2022
- Data Source
  KAKENHI-PUBLICLY-20H04791
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と安定性2021
- Author(s)
  齋藤大明・叶直樹
- Organizer
  科学コミュニケーションのフロンティア・第2回領域リトリート
- Data Source
  KAKENHI-PUBLICLY-20H04791
[Presentation] Dynamical structure and thermal stability of polyene macrolactam heronamides in lipid bilayer: A molecular dynamics study2021
- Author(s)
  Hiroaki Saito，Naoki Kanoh
- Organizer
  The International Chemical Congress of Pacific Basin Societies 2021［PACIFICHEM2021］, Chemical Communications through Natural and Synthetic Bioactive Compounds (#79)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と凝集性2021
- Author(s)
  齋藤大明，叶直樹
- Organizer
  化学コミュニケーションのフロンティア第8回公開シンポジウム
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] Dynamical structure and thermal stability of polyene macrolactam heronamides in lipid bilayer: A molecular dynamics study2021
- Author(s)
  Hiroaki Saito，Naoki Kanoh
- Organizer
  The International Chemical Congress of Pacific Basin Societies 2021［PACIFICHEM2021］, Chemical Communications through Natural and Synthetic Bioactive Compounds (#79)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-20H04791
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と結合特性2021
- Author(s)
  齋藤大明，叶直樹
- Organizer
  第35回分子シミュレーション討論会
- Data Source
  KAKENHI-PUBLICLY-20H04791
[Presentation] 植物ホルモン-受容体相互作用に寄与する拡張デグロン配列の同定2021
- Author(s)
  中山美涼, 齊藤里菜, 林謙吾, 野本春菜, 高岡洋輔, 齋藤大明, 山神壮平, 武藤俊哉, 上田実
- Organizer
  第15回バイオ関連化学シンポジウム
- Data Source
  KAKENHI-PUBLICLY-20H04791
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と凝集性2021
- Author(s)
  齋藤大明，叶直樹
- Organizer
  化学コミュニケーションのフロンティア第8回公開シンポジウム
- Data Source
  KAKENHI-PUBLICLY-20H04791
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と安定性2021
- Author(s)
  齋藤大明、叶直樹
- Organizer
  化学コミュニケーションのフロンティア・第2回領域リトリート
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 生体膜に会合する化学コミュニケーション分子の機能解明と計算分子設計技術の開発2021
- Author(s)
  齋藤大明
- Organizer
  科学コミュニケーションのフロンティア・第7回公開シンポジウム
- Data Source
  KAKENHI-PUBLICLY-20H04791
[Presentation] 植物ホルモン-受容体相互作用に寄与する拡張デグロン配列の同定2021
- Author(s)
  中山美涼, 齊藤里菜, 林謙吾, 野本春菜, 高岡洋輔, 齋藤大明, 山神壮平, 武藤俊哉, 上田実
- Organizer
  第15回バイオ関連化学シンポジウム
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 生体膜に会合する化学コミュニケーション分子の機能解明と計算分子設計技術の開発2021
- Author(s)
  齋藤大明
- Organizer
  化学コミュニケーションのフロンティア・第7回公開シンポジウム（誌上シンポジウム）
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と結合特性2021
- Author(s)
  齋藤大明，叶直樹
- Organizer
  第35回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] LogMFDによる脂質分子の膜透過自由エネルギー曲線2019
- Author(s)
  齋藤大明、森下徹也
- Organizer
  分子科学討論会2019
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] Dynamical structure and thermal stability of polyene macrolactam heronamide in lipid bilayer: a molecular dynamics study2019
- Author(s)
  Hiroaki Saito, Naoki, Kanoh
- Organizer
  International Conference on Molecular Simulation (ICMS 2019)
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] Dynamical structure and thermal stability of polyene macrolactam heronamide in lipid bilayer: a molecular dynamics study2019
- Author(s)
  Hiroaki Saito, Naoki, Kanoh
- Organizer
  International Conference on Molecular Simulation (ICMS 2019)
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と濃度依存性2019
- Author(s)
  齋藤大明、叶直樹
- Organizer
  化学コミュニケーションのフロンティア第6回公開シンポジウム
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と濃度依存性2019
- Author(s)
  齋藤大明、叶直樹
- Organizer
  化学コミュニケーションのフロンティア第6回公開シンポジウム
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] LogMFDによる脂質分子の膜透過自由エネルギー曲線2019
- Author(s)
  齋藤大明、森下徹也
- Organizer
  分子科学討論会2019
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Development of a pharmacokinetics prediction system using multiscale integrated modeling:16. Prediction of sites of metabolism of drug by CYP2C9 by molecular simulation2019
- Author(s)
  Hiroaki Saito, Takao Otsuka, Noriaki Okimoto, Makoto Taiji
- Organizer
  CBI学会2019年大会
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Development of a pharmacokinetics prediction system using multiscale integrated modeling:16. Prediction of sites of metabolism of drug by CYP2C9 by molecular simulation2019
- Author(s)
  Hiroaki Saito, Takao Otsuka, Noriaki Okimoto, Makoto Taiji
- Organizer
  CBI学会2019年大会
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] LogMFDによる脂質分子の膜透過自由エネルギー曲線2019
- Author(s)
  齋藤大明、森下徹也
- Organizer
  分子科学討論会2019
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] Development of a pharmacokinetics prediction system using multiscale integrated modeling:16. Prediction of sites of metabolism of drug by CYP2C9 by molecular simulation2019
- Author(s)
  Hiroaki Saito, Takao Otsuka, Noriaki Okimoto, Makoto Taiji
- Organizer
  CBI学会2019年大会
- Data Source
  KAKENHI-PROJECT-19K05378
[Presentation] 分子動力学シミュレーションを用いたヘロナミド類の膜内構造と濃度依存性2019
- Author(s)
  齋藤大明、叶直樹
- Organizer
  化学コミュニケーションのフロンティア第6回公開シンポジウム
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Dynamical structure and thermal stability of polyene macrolactam heronamide in lipid bilayer: a molecular dynamics study2019
- Author(s)
  Hiroaki Saito, Naoki, Kanoh
- Organizer
  International Conference on Molecular Simulation (ICMS 2019)
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] 深層学習と分子シミュレーションを用いた計算分子設計2018
- Author(s)
  齋藤大明
- Organizer
  新学術領域研究「化学コミュニケーションのフロンティア」第3回公開シンポジウム
- Invited
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] Dynamical structure and thermal stability of polyene macrolactam heronamide C and A in lipid bilayer: a molecular dynamics study2018
- Author(s)
  Hiroaki Saito, Naoki Kanoh
- Organizer
  The 1st International Symposium on Chemical Communication (ISCC2019)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] Free energy profiles of lipid translocation across binary POPC bilayer mixtures: a molecular dynamics study2018
- Author(s)
  Hiroaki Saito, Tetsuya Morishita, Taku Mizukami, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  Joint Conference of EMLG/JMLG Annual Meeting 2018 and 41st Symposium on Solution Chemistry of Japan
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] 分子シミュレーションを用いたシトクロムP450(CYP3A4)に対する薬剤代謝部位予測2018
- Author(s)
  齋藤大明，大塚教雄, 沖本憲明, 泰地真弘人
- Organizer
  CBI学会2018年大会
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] Quantum chemical analysis of reaction indices and reaction path for drug molecules2018
- Author(s)
  Takao Otsuka, Noriaki Okimoto, Hiroaki Saito, Makoto Taiji
- Organizer
  XXIX IUPAP Conference in Computational Physics (CCP2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] 深層学習と分子シミュレーションを用いた計算分子設計2018
- Author(s)
  齋藤大明
- Organizer
  新学術領域研究「化学コミュニケーションのフロンティア」第3回公開シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Quantum chemical analysis of reaction indices and reaction path for drug molecules2018
- Author(s)
  Takao Otsuka, Noriaki Okimoto, Hiroaki Saito, Makoto Taiji
- Organizer
  XXIX IUPAP Conference in Computational Physics (CCP2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] 分子シミュレーションを用いたシトクロムP450(CYP3A4)に対する薬剤代謝部位予測2018
- Author(s)
  齋藤大明，大塚教雄, 沖本憲明, 泰地真弘人
- Organizer
  CBI学会2018年大会
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Free energy profiles of lipid translocation across binary POPC bilayer mixtures: a molecular dynamics study2018
- Author(s)
  Hiroaki Saito, Tetsuya Morishita, Taku Mizukami, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  Joint Conference of EMLG/JMLG Annual Meeting 2018 and 41st Symposium on Solution Chemistry of Japan
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] Molecular dynamics study on the free energy profiles of lipid translocation across binary POPC bilayer mixtures2018
- Author(s)
  Hiroaki Saito, Tetsuya Morishita, Taku Mizukami, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  XXIX IUPAP Conference in Computational Physics (CCP2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] 分子シミュレーションを用いたシトクロムP450に対する薬剤代謝部位予測2018
- Author(s)
  齋藤大明，大塚教雄, 沖本憲明, 泰地真弘人
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] Molecular dynamic study on solvation free energy of water and model protein2018
- Author(s)
  Taku Mizukami, Hiroaki Saito
- Organizer
  XXIX IUPAP Conference in Computational Physics (CCP2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04636
[Presentation] Dynamical structure and thermal stability of polyene macrolactam heronamide C and A in lipid bilayer: a molecular dynamics study2018
- Author(s)
  Hiroaki Saito, Naoki Kanoh
- Organizer
  The 1st International Symposium on Chemical Communication (ISCC2019)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Molecular dynamic study on solvation free energy of water and model protein2018
- Author(s)
  Taku Mizukami, Hiroaki Saito
- Organizer
  XXIX IUPAP Conference in Computational Physics (CCP2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] 分子シミュレーションを用いたシトクロムP450に対する薬剤代謝部位予測2018
- Author(s)
  齋藤大明，大塚教雄, 沖本憲明, 泰地真弘人
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Molecular dynamics study on the free energy profiles of lipid translocation across binary POPC bilayer mixtures2018
- Author(s)
  Hiroaki Saito, Tetsuya Morishita, Taku Mizukami, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  XXIX IUPAP Conference in Computational Physics (CCP2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] 分子シミュレーションを用いたシトクロムP450(CYP)に対する薬物代謝部位予測2017
- Author(s)
  齋藤大明, 大塚教雄, 沖本憲明, 泰地真弘人
- Organizer
  第31回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Development of a pharmacokinetics prediction system using multiscale integrated modeling: 5. Prediction of sites of drug metabolism by cytochrome P450 by molecular simulation2017
- Author(s)
  齋藤大明, 水上卓, 平野秀典, 大塚教雄, 沖本憲明, 泰地真弘人
- Organizer
  CBI学会2017
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Free energy profiles of lipid translocation across mixed lipid bilayers: a molecular dynamics study2017
- Author(s)
  Hiroaki Saito, Tetsuya Morishita, Taku Mizukami, Ken-ichi Nishiyama, Kazutomo Kawaguchi, and Hidemi Nagao
- Organizer
  onference on computational physics 2017 (CCP2017)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] 混合脂質膜における脂質分子の膜透過自由エネルギー曲線2017
- Author(s)
  齋藤大明，森下徹也，水上卓，川口一朋，長尾秀実
- Organizer
  分子科学討論 2017
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] 疎水性アミノ酸残基間に働く有効相互作用に関する理論的研究2016
- Author(s)
  川口一朋、齋藤大明、長尾秀実
- Organizer
  日本物理学会第71回年次大会
- Place of Presentation
  東北学院大学　仙台
- Year and Date
  2016-03-19
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] アンサンブルドッキングを用いたCYP1A2に対する薬剤代謝部位予測2016
- Author(s)
  齋藤大明, 水上卓, 平野秀典, 大塚教雄, 沖本憲明, 泰地真弘人
- Organizer
  第54回日本生物物理年会
- Place of Presentation
  つくば国際会議場（茨城県・つくば市）
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Hras-GTP / GDP 系での GTP/GDP 周辺における水素結合の動的性質の分子動力学法による研究2016
- Author(s)
  宮川毅, 森河良太, 高須昌子, 杉森公一, 川口一朋, 齋藤大明, 長尾秀実
- Organizer
  日本物理学会年会
- Place of Presentation
  仙台
- Year and Date
  2016-03-19
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] 分子シミュレーションによるタンパク質の結合ポケット解析と基質の結合構造予測2016
- Author(s)
  齋藤大明, 水上卓, 沖本憲明, 泰地真弘人
- Organizer
  第30回分子シミュレーション討論会
- Place of Presentation
  大阪大学（大阪府・豊中市）
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] Theoretical study on effective interaction between protein molecules2016
- Author(s)
  Kazutomo Kawaguchi, Satoshi Nakagawa, Shogo Kinoshita, Hiroaki Saito, Hidemi Nagao
- Organizer
  56th Sanibel Symposium
- Place of Presentation
  St. Simons island, GA, USA
- Year and Date
  2016-02-14
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] In silico compound screening by ensemble-based docking: an application to Estrogen receptor2016
- Author(s)
  Hiroaki Saito, Taku Mizukami, Kazutomo Kawaguchi, and Hidemi Nagao
- Organizer
  56th Sanibel Symposium
- Place of Presentation
  St. Simons island, GA, USA
- Year and Date
  2016-02-14
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Compounds screening by ensemble docking method: an application to Estrogen receptor2016
- Author(s)
  SAITO, Hiroaki; KAWAGUCHI, Kazutomo; NAGAO Hidemi
- Organizer
  日本化学会年会
- Place of Presentation
  京都
- Year and Date
  2016-03-26
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] 分子ドッキングと分子動力学シミュレーションを用いたシトクロム P450(CYP1A2)活性部位における化合物の結合分布解析2016
- Author(s)
  齋藤大明, 水上卓, 平野秀典, 大塚教雄, 沖本憲明, 泰地真弘人
- Organizer
  分子科学討論会
- Place of Presentation
  神戸ファッションマート（兵庫県・神戸市）
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] 分子シミュレーションを用いたCYP1A2に対する薬剤代謝部位予測2016
- Author(s)
  齋藤大明, 水上卓, 平野秀典, 大塚教雄, 沖本憲明, 泰地真弘人
- Organizer
  CBI学会2016年大会
- Place of Presentation
  タワーホール船堀
- Invited
- Data Source
  KAKENHI-PROJECT-16K05648
[Presentation] 粗視化モデルによるミセルの形成に関する理論的研究2015
- Author(s)
  木下翔吾, 中川聖, 松井貴寛, 齋藤大明, 川口一朋，長尾秀実
- Organizer
  分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Prediction of binding pose of estradiol to human estrogen receptor: identification of druggable pocket and ensemble-based docking2015
- Author(s)
  齋藤大明・川口一朋・長尾秀実
- Organizer
  日本生物物理学会年会
- Place of Presentation
  金沢
- Year and Date
  2015-09-13
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] 水溶液中の溶質粒子の親水性・疎水性に関する理論的研究2015
- Author(s)
  川口一朋，齋藤大明, 長尾秀実
- Organizer
  分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] プラストシアニンとシトクロムfの会合－解離過程における自由エネルギー地形に関する理論的研究2015
- Author(s)
  松井貴寛, 中川聖，木下翔吾, 齋藤大明, 川口一朋，長尾秀実
- Organizer
  分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] 誘導適合分子ドッキング法による基質－タンパク質の結合構造予測2015
- Author(s)
  齋藤大明, 川口一朋，長尾秀実
- Organizer
  分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Hras-GTP / GDP 系でのGTP/GDP周辺における水分子の動きの分子動力学法による研究2015
- Author(s)
  宮川毅, 森河良太, 高須昌子, 杉森公一, 川口一朋, 齋藤大明, 長尾秀実
- Organizer
  分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] アンサンブル分子ドッキングによるリガンド分子配座探索2015
- Author(s)
  齋藤大明, 川口一朋，長尾秀実
- Organizer
  第7回「学際計算科学による新たな知の発見・統合・創出」シンポジウム
- Place of Presentation
  筑波大学
- Year and Date
  2015-10-19
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Prediction of binding pose of estradiol to human estrogen receptor: identification of druggable pocket and ensemble-based docking2015
- Author(s)
  齋藤大明
- Organizer
  新学術領域研究「天然物ケミカルバイオロジー～分子標的と活性制御～」第8回公開シンポジウム
- Place of Presentation
  仙台
- Year and Date
  2015-06-08
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Goモデルを用いたプラストシアニン―シトクロムfにおけるタンパク質間相互作用に関する理論的研究2015
- Author(s)
  中川聖、木下翔吾、松井貴寛、川口一朋、齋藤大明、長尾秀実
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京工業大学　東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] Goモデルを用いたプラストシアニン-シトクロムfにおけるタンパク質間相互作用に関する理論的研究2015
- Author(s)
  中川聖，木下翔吾, 松井貴寛, 齋藤大明, 川口一朋，長尾秀実
- Organizer
  分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Role of water molecules for association of Hsp90 and ADP2015
- Author(s)
  Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  第53回日本生物物理学会年会
- Place of Presentation
  金沢大学　金沢
- Year and Date
  2015-09-13
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] 水溶液中の溶質分子の親水性・疎水性に関する理論的研究2015
- Author(s)
  川口一朋、齋藤大明、長尾秀実
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京工業大学　東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] Role of water molecules for association of Hsp90 and ADP2015
- Author(s)
  川口一朋・齋藤大明・長尾秀実
- Organizer
  日本生物物理学会年会
- Place of Presentation
  金沢
- Year and Date
  2015-09-13
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] プラストシアニンとシトクロムfの会合―解離過程における自由エネルギー地形に関する理論的研究2015
- Author(s)
  松井貴寛、中川聖、川口一朋、齋藤大明、長尾秀実
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京工業大学　東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] Exploring an appropriate ligand-binding pose by ensemble-based docking2015
- Author(s)
  Hiroaki Saito, Kazutomo Kawaguchi, and Hidemi Nagao
- Organizer
  PACIFICHEM 2015
- Place of Presentation
  hawaii, USA
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Hras-GTP/GDP の GTP/GDP周辺にある水分子水素結合場の分子動力学法による研究2014
- Author(s)
  宮川毅, 森河良太, 高須昌子, 杉森公一,川口一朋, 齋藤大明, 長尾秀実
- Organizer
  日本物理学会第69回年次大会
- Place of Presentation
  神奈川
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics study on mean force and free energy difference between Hsp90 and ADP2014
- Author(s)
  Kazutomo KAWAGUCHI, Hiroaki SAITO, Hidemi NAGAO
- Organizer
  Nagoya Symposium on Depletion Forces: Celebrating the 60th Anniversary of the Asakura-Oosawa Theory
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 分子動力学法によるタンパク質－基質分子間の自由エネルギープロフィール2014
- Author(s)
  川口一朋、齋藤大明、長尾秀実
- Organizer
  日本物理学会第69回年次大会
- Place of Presentation
  神奈川
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular docking study of protein-ligand system2014
- Author(s)
  Hiroaki SAITO, Kazutomo KAWAGUCHI, and Hidemi NAGAO
- Organizer
  International Symposium on Computational Science 2014
- Place of Presentation
  Institut Teknologi Bandung, Indonesia
- Year and Date
  2014-05-20
- Invited
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Analysis of the site-dipole fields around guanine nucleotides in the Hras-GTP and Hras-GDP complexes2014
- Author(s)
  Takeshi Miyakawa, Ryota Morikawa, Masako Takasu, Kimikazu Sugimori, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  The 54th Sanibel Symposium
- Place of Presentation
  Florida, USA
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 分子動力学法によるグラミシジンAの膜内安定性2014
- Author(s)
  齋藤大明，川口一朋，長尾秀実
- Organizer
  日本化学会第94春季年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Thermal Stability of Gramicidin A in Lipid Bilayer: A Free Energy Analysis2014
- Author(s)
  Hiroaki Saito, Masashi Iwayama, Kazutomo Kawaguchi, Taku Mizukami, Takeshi Miyakawa, Masako Takasu, and Hidemi Nagao
- Organizer
  The 54th Sanibel Symposium
- Place of Presentation
  Florida, USA
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical studies of redox potential for metalloprotein by combining MD and QM/MM simulations2013
- Author(s)
  Masashi Iwayama, Hiroaki Saito, Kimikazu Sugimori, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  3rd International Conference on Molecular Simulatio
- Place of Presentation
  神戸
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical Study of a π-stacking Interaction Effect to the Orientation of His64 of Carbonic Anhydrase2013
- Author(s)
  Koyimatu Muhamad，Shimahara Hideto，Sugimori Kimikazu，Sugimori Tetsuya，Saito Hirosaki，Kawaguchi Kazutomo，Nagao Hidemi
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Hras-GTP内におけるGTP周辺にある水分子の分子動力学法による研究2013
- Author(s)
  宮川毅, 森河良太, 高須昌子, 杉森公一, 川口一朋, 齋藤大明, 長尾秀実
- Organizer
  第６８回日本物理学会春季大会
- Place of Presentation
  広島
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Development of new algolithm for calculation of the energy distribution function by GPGPU2013
- Author(s)
  Takuhito Shiogama, Tsuhito Yoshida, Hiroaki Saito, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  第51回生物物理年会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Π-stacking Interaction between Heterocyclic Rings in a Reaction Field of Biological System2013
- Author(s)
  Muhamad KOYIMATU, Hideto SHIMAHARA, Kimikazu SUGIMORI, Kazutomo KAWAGUCHI, Hiroaki SAITO, and Hidemi NAGAO
- Organizer
  The 12th Asia Pacific Physics Conference (APPC12)
- Place of Presentation
  千葉
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Structure and stability of the binding of HNP-1 with DPPC lipid bilayer: a molecular dynamics study2013
- Author(s)
  Primasari Nandia，Saito Hiroaki，Nurbaiti Santi，Kawaguchi Kazutomo，Nagao Hidemi
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Hras-GTP内におけるGTP周辺にある水分子の分子動力学法による研究2013
- Author(s)
  宮川毅, 森河良太, 高須昌子, 杉森公一, 川口一朋, 齋藤大明, 長尾秀実
- Organizer
  第68回日本物理学会春季大会
- Place of Presentation
  広島
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Hsp90とADPの解離過程における自由エネルギープロフィールと相互作用解析2013
- Author(s)
  川口一朋，齋藤大明，長尾秀実
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical study on the self-assembly of satellite tobacco mosaic virus using coarse grained simulation2013
- Author(s)
  Masato Teranishi, Micke Rusmerryani, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  第51回生物物理年会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Analysis of network of water molecules in molecular dynamics simulations of Hras-GTP and GDP complexes2013
- Author(s)
  Takeshi Miyakawa, Ryota Morikawa, Masako Takasu, Kimikazu Sugimori, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  第51回生物物理年会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Electrostatic potential and lateral pressure profile of lipid bilayer containing gramicidin A in effective electrostatic field2013
- Author(s)
  齋藤大明，川口一朋，長尾秀実
- Organizer
  第51回生物物理年会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical studies on oxidation of molecules by combining MD and QM/MM calculations2013
- Author(s)
  Masashi Iwayama, Isman Kurniawan, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  The 53rd Sanibel Symposium
- Place of Presentation
  Florida, USA
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Theoretical studies on oxidation of molecules by combining MD and QM/MM calculations2013
- Author(s)
  Masashi Iwayama, Isman Kurniawan, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  The 53rd Sanibel Symposium
- Place of Presentation
  Florida, USA
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics analyses of dissociation process of ADP from Hsp902013
- Author(s)
  K. Kawaguchi, H. Takagi, M. Iwayama, H. Saito, H. Nagao
- Organizer
  International Symposium On Computational Science 2013(招待講演
- Place of Presentation
  Kanazawa
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Molecular Dynamics Study of Gramicidin A in Lipid Bilayer: Electrostatic Map and Ion Conduction2013
- Author(s)
  Hiroaki SAITO, Masashi IWAYAMA, Kazutomo KAWAGUCHI, Taku MIZUKAMI, Takeshi MIYAKAWA, Masako TAKASU, and Hidemi NAGAO
- Organizer
  The 12th Asia Pacific Physics Conference (APPC12)
- Place of Presentation
  千葉
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular Dynamics Study of Hsp90 and ADP: Hydrogen Bond Analysis for ADP Dissociation2013
- Author(s)
  Kazutomo KAWAGUCHI, Hiroaki SAITO, Hidemi NAGAO
- Organizer
  The 12th Asia Pacific Physics Conference (APPC12)
- Place of Presentation
  千葉
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Free energy profile and dissociation pathway in the dissociation process of ADP from Hsp902013
- Author(s)
  Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  第51回生物物理年会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Thermal Statibilty of Gramicidin A in Lipid Bilayer: A Molecular Dynamics Study2013
- Author(s)
  Hiroaki Saito, Kawaguchi Kazutomo, Hidemi Nagao
- Organizer
  3rd International Conference on Molecular Simulation
- Place of Presentation
  神戸
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics study on mean force between Hsp90 and ADP2013
- Author(s)
  Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  3rd International Conference on Molecular Simulation
- Place of Presentation
  神戸
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics analyses of dissociation process of ADP from Hsp902013
- Author(s)
  K. Kawaguchi, H. Takagi, M. Iwayama, H. Saito, H. Nagao
- Organizer
  International Symposium On Computational Science 2013
- Place of Presentation
  Kanazawa
- Invited
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Protein--protein interactions of Azurin complex in liquid system2013
- Author(s)
  Micke Rusmerryani, Masako Takasu, Kazutomo Kawaguchi, Hiroaki Saito, and Hidemi Nagao
- Organizer
  The 12th Asia Pacific Physics Conference (APPC12)
- Place of Presentation
  千葉
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 脂質二重層膜におけるグラミシジンAの静電ポテンシャル特性と電場応答2013
- Author(s)
  齋藤大明，川口一朋，長尾秀実
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] MD法とQM/MM計算によるブルー銅タンパク質の酸化還元電位に関する理論的研究2013
- Author(s)
  岩山将士，齋藤大明，杉森公一，川口一朋，長尾秀実
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical studies on effects of protein--protein interactions on azurin complex stability by coarse-grained model2013
- Author(s)
  Rusmerryani Micke，Takasu Masako，Kawaguchi Kazutomo，Saito Hiroaki，Nagao Hidemi
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical study on the structural stability of the vesicle by parallelized coarse-grained simulation2013
- Author(s)
  Tsuhito Yoshida, Kazuma Tamura, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  第51回生物物理年会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics study of gramicidin A in lipid bilayer: structure and lateral pressure profile2012
- Author(s)
  Hiroaki Saito, Masashi Iwayama, Hiroyuki Takagi,Kazutomo Kawaguchi, and Hidemi Nagao
- Organizer
  The 5th International Symposium on Computational Sciences(ISCS) 2012(招待講演
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Analysis of water molecules in molecular dynamics simulations of H-ras GTP and GDP complexes2012
- Author(s)
  T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito, Hidemi Nagao
- Organizer
  第５０回日本生物物理学会年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Binding Free Energy of Azurin-Cytochrome c551 Complex by all-atom Molecular Dynamics Simulation2012
- Author(s)
  H. Saito, M. Iwayama, T. Mizukami, K. Kawaguchi, Hidemi Nagao
- Organizer
  Conference on Computational Physics (CCP2012)
- Place of Presentation
  Kobe
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Theoretical Model for Assessing Properties of Local Structures in Metalloprotein2012
- Author(s)
  M. Koyimatu, H. Shimahara, M. Iwayama, K. Sugimori, K. Kawaguchi, H. Saito, H. Nagao
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics study of gramicidin A in lipid bilayer: structure and lateral pressure profile2012
- Author(s)
  Hiroaki Saito, Masashi Iwayama, Hiroyuki Takagi, Kazutomo Kawaguchi, and Hidemi Nagao
- Organizer
  The 5th International Symposium on Computational Sciences (ISCS) 2012
- Place of Presentation
  Yogyakarta, Indonesia
- Invited
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Transition State Analysis of Azurin via Go-like Model2012
- Author(s)
  Micke Rusmerryani, Meidy T. Pakpahan, Megumi Nishimura, Masako Takasu, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 脂質二重層膜におけるグラミシジン A の構造と圧力特性2012
- Author(s)
  齋藤大明, 川口一朋 , 長尾秀実
- Organizer
  第26回分子シミュレーション討論会
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics analyses of dissociation process of ADP from Hsp902012
- Author(s)
  K. Kawaguchi, H. Takagi, M. Iwayama, H. Saito, H. Nagao
- Organizer
  International Symposium On Computational Science 2013
- Place of Presentation
  Kanazawa, Japan
- Invited
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical study on entrainment phenomenon in model molecular systems2012
- Author(s)
  Hidemi Nagao, Michke Rusmerryani, Acep Pruqon, Kazutomo Kawaguchi, Hiroaki Saito
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  Sendai
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Theoretical study on entrainment phenomenon in model molecular systems2012
- Author(s)
  Hidemi Nagao, Michke Rusmerryani, Acep Pruqon, Kazutomo Kawaguchi, Hiroaki Saito
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Free energy profile for binding of ADP to Hsp90 with molecular dynamics simulation2012
- Author(s)
  K. Kawaguchi, H. Takagi, M. Iwayama, M. Nishimura, H. Saito, Hidemi Nagao
- Organizer
  第50回日本生物物理学会年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Free energy profile of Hsp90-ADP binding by molecular dynamics simulations2012
- Author(s)
  K. Kawaguchi, H. Saito, Hidemi Nagao
- Organizer
  Conference on Computational Physics (CCP2012)
- Place of Presentation
  Kobe, Japan
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Computational Study of Oxidation Potential Fluctuation of Ketone Molecule2012
- Author(s)
  Isman Kurniawan, H. Saito, K. Kawaguchi, H. Nagao
- Organizer
  International Symposium On Computational Science 2013
- Place of Presentation
  Kanazawa, Japan
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] GPGPUによるエネルギー分布関数計算の高速化2012
- Author(s)
  塩釜拓仁，齋藤大明，川口一朋，長尾秀実
- Organizer
  第６回分子化学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Free energy profile for binding of ADP to Hsp90 by molecular dynamics simulation2012
- Author(s)
  Kazutomo Kawaguchi, Hiroyuki Takagi, Masashi Iwayama, Hiroaki Saito, and Hidemi Nagao
- Organizer
  The 5th International Symposium on Computational Sciences (ISCS) 2012
- Place of Presentation
  Yogyakarta, Indonesia
- Invited
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Structure and lateral pressure profile of lipid bilayer containing gramicidin A by molecular dynamics simulation2012
- Author(s)
  H. Saito, M. Iwayama, M. Nishimura, H. Takagi, K. Kawaguchi, H. Nagao
- Organizer
  第50回日本生物物理学会年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Oxidation Potential of Ketone Molecule: Structural Fluctuation Dependence2012
- Author(s)
  Isman Kurniawan, Muhamad Koyimatu, Masashi Iwayama, Hiroaki Saito, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics simulations of the Hras-GTP complex and the Hras-GDP complex2012
- Author(s)
  Takeshi Miyakawa, Ryota Morikawa, Msako Takasu, Kimikazu Sugimori, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  The 52nd Sanibel Symposium
- Place of Presentation
  The King and prince beach & golf resort , アメリカ
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics studies of Hsp90 with ADP: protein-ligand binding dynamics2012
- Author(s)
  K. Kawaguchi, H. Takagi, M. Takasu, H. Saito, H. Nagao
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Conformational Stability of Met20 Loop of DHFR: A molecular Dynamics Study2012
- Author(s)
  M. Nishimura, H. Saito, K. Kawaguchi, H. Nagao
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Binding Free Energy of Protein-Ligand by combining Docking and MD Simulation: A Comparison of Calculation Methods2012
- Author(s)
  M. T. Pakpahan, H. Saito, K. Kawaguchi, and H. Nagao
- Organizer
  International Symposium On Computational Science 2013
- Place of Presentation
  Kanazawa, Japan
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 分子動力学計算における相互作用計算の高速化手法の評価2012
- Author(s)
  吉田津日門，齋藤大明，川口一朋，長尾秀実
- Organizer
  第６回分子化学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Binding Free Energy of Azurin-Cytochrome c551 Complex by all-atom Molecular DynamicsSimulation2012
- Author(s)
  H. Saito, M. Iwayama, T. Mizukami, K.Kawaguchi, Hidemi Nagao
- Organizer
  Conference on Computational Physics (CCP2012)
- Place of Presentation
  Kobe
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] A molecular dynamics study of Hras-GTP and GDP complexes: the properties of water molecules around guanine nucleotide2012
- Author(s)
  T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito, H. Nagao
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics study of electrostatic potential along lipid bilayer with gramicidin A2012
- Author(s)
  Hiroaki Saito, Megumi Nishimura, Hiroyuki Takagi, Takeshi, Miyakawa, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical Study of π-stacking Interaction in Carbonic Anhydrase2012
- Author(s)
  M. Koyimatu, H. Shimahara, K. Kawaguchi, H. Saito, and H. Nagao
- Organizer
  International Symposium On Computational Science 2013
- Place of Presentation
  Kanazawa, Japan
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics simulaitoins of the N-terminal domain of Hsp90 with nucleotides2012
- Author(s)
  Kazutomo Kawaguchi Massashi Iwayama, Hiroyuki Takagi, Takeshi Miyakawa, Hiroaki Saito, Masako Takasu, Hidemi Nagao
- Organizer
  The 52nd Sanibel Symposium
- Place of Presentation
  The King and prince beach & golf resort , アメリカ
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Free energy profile for binding of ADP to Hsp90 by molecular dynamics simulation2012
- Author(s)
  Kazutomo Kawaguchi, Hiroyuki Takagi, Masashi Iwayama, Hiroaki Saito, and Hidemi Nagao
- Organizer
  The 5th International Symposium on Computational Sciences(ISCS) 2012(招待講演)
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Molecular dynamics study of gramicidin A in lipid bilayer: structure and lateral pressure profile2012
- Author(s)
  Hiroaki Saito, Masashi Iwayama, Hiroyuki Takagi, Kazutomo Kawaguchi, and Hidemi Nagao
- Organizer
  The 5th International Symposium on Computational Sciences (ISCS) 2012
- Place of Presentation
  Yogyakarta, Indonesia
- Invited
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Structure and lateral pressure profile of lipid bilayer containing gramicidin A by molecular dynamics simulation2012
- Author(s)
  H. Saito, M. Iwayama, M. Nishimura, H. Takagi, K. Kawaguchi, H. Nagao
- Organizer
  第５０回日本生物物理学会年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Molecular dynamics study of gramicidin A in lipid bilayer: structure and energetics"2012
- Author(s)
  Hiroaki Saito, Masashi Iwayama, Hiroyuki Takagi, Takeshi Miyakawa, Kazutomo Kawaguchi, Masako Takasu, and Hidemi Nagao
- Organizer
  The 52nd Sanibel Symposium
- Place of Presentation
  The King and prince beach & golf resort , アメリカ
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Free energy profile for binding of ADP to Hsp90 with molecular dynamics simulation2012
- Author(s)
  K. Kawaguchi, H. Takagi, M. Iwayama, M. Nishimura, H. Saito, Hidemi Nagao
- Organizer
  第５０回日本生物物理学会年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Hsp90 との結合・解離における ADP の解析2012
- Author(s)
  川口一朋, 齋藤大明, 長尾秀実
- Organizer
  第26回分子シミュレーション討論会
- Place of Presentation
  Kobe, Japan
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical study on entrainment phenomenon in model molecular systems2012
- Author(s)
  Hidemi Nagao, Michke Rusmerryani, Acep Pruqon, Kazutomo Kawaguchi, Hiroaki Saito
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Structure and lateral pressure profile of lipid bilayer containing gramicidin A by molecular dynamicssimulation2012
- Author(s)
  H. Saito, M. Iwayama, M. Nishimura, H. Takagi,K. Kawaguchi, H. Nagao
- Organizer
  第50回日本生物物理学会年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Evaluation of scoring functions for protein-ligand docking2012
- Author(s)
  Meidy T. Pakpahan, Micke Rusmerryani, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  The 4th International Symposium on Slow Dynamics in Complex Systems
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Binding Free Energy of Azurin–Cytochrome c551 Complex by all-atom Molecular Dynamics Simulation2012
- Author(s)
  H. Saito, M. Iwayama, T. Mizukami, K. Kawaguchi, Hidemi Nagao
- Organizer
  Conference on Computational Physics (CCP2012)
- Place of Presentation
  Kobe, Japan
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Free energy profile for binding of ADP to Hsp90 by molecular dynamics simulation2012
- Author(s)
  Kazutomo Kawaguchi, Hiroyuki Takagi, Masashi Iwayama, Hiroaki Saito, and Hidemi Nagao
- Organizer
  The 5th International Symposium on Computational Sciences (ISCS) 2012
- Place of Presentation
  Yogyakarta, Indonesia
- Invited
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Solvation effect on the protein docking process: a molecular dynamics study2012
- Author(s)
  Taku Mizukami, Hiroaki Saito, Takeshi Miyakawa, Masashi Iwayama, Masako Takasu, Hidemi Nagao
- Organizer
  The 52nd Sanibel Symposium
- Place of Presentation
  The King and prince beach & golf resort , アメリカ
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 脂質二重層膜におけるグラミシジンAの構造と圧力特性2012
- Author(s)
  齋藤大明，川口一朋，長尾秀実
- Organizer
  第６回分子化学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Dual Go-Modelを用いたジヒドロ葉酸還元酵素の構造遷移解析2012
- Author(s)
  寺西壯登，川口一朋，齋藤大明，長尾秀実
- Organizer
  第６回分子化学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Free energy profile of Hsp90-ADP binding by molecular dynamics simulations2012
- Author(s)
  K. Kawaguchi, H. Saito, Hidemi Nagao
- Organizer
  Conference on Computational Physics (CCP2012)
- Place of Presentation
  Kobe
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] 膜透過ペプチドによる脂質二重膜の構造変化の膜曲げ弾性依存2011
- Author(s)
  川本周平, 高須昌子, 宮川毅, 森河良太, 小田竜樹, 齋藤大明, 二木史朗, 長尾秀実
- Organizer
  第４９回生物物理学会年会
- Place of Presentation
  兵庫県立大学, 兵庫県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 膜透過ペプチドの脂質二重膜内における自由エネルギー2011
- Author(s)
  川本周平，高須昌子，宮川毅，森河良太，小田竜樹，齋藤大明，二木史朗，長尾秀実
- Organizer
  第25回分子シミュレーション討論会
- Place of Presentation
  東京工業大学, 東京
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 溶液中における鉄イオンFe2+/Fe3+の酸化還元電位に関する理論的研究2011
- Author(s)
  岩山将士, 齋藤大明, 川口一朋, 長尾秀実
- Organizer
  第５回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター, 北海道
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Binding free energy of oxidized Azurin - reduced Cytochrome c551 Complex2011
- Author(s)
  Hiroaki Saito, Masashi Iwayama, Taku Mizukami, Hidemi Nagao
- Organizer
  The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
- Place of Presentation
  早稲田大学, 東京
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Azurin-Cytochrome c551 複合体の結合自由エネルギー2011
- Author(s)
  齋藤大明, 岩山将士, 水上卓, 西川清
- Organizer
  第２回計算統計物理学研究会
- Place of Presentation
  金沢大学, 石川県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Binding free energy of oxidized Azurin - reduced Cytochrome c551 Complex2011
- Author(s)
  Hiroaki Saito, Masashi Iwayama, Taku Mizukami, Hidemi Nagao
- Organizer
  The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
- Place of Presentation
  Waseda University (JAPAN)
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Structural analysis of ligand binding mechanism of Hsp902011
- Author(s)
  Kazutomo Kawaguchi, Acep Purqon, Hiroaki Saito, Hidemi Nagao
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI)
- Place of Presentation
  石川県立美術館, 石川県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] C型肝炎ウイルスにおけるNS3セリンプロテアーゼ阻害剤cVH種に関する分子動力学シミュレーション2011
- Author(s)
  岩山将士, 川口一朋, 齋藤大明, 長尾秀実
- Organizer
  第４９回生物物理学会年会
- Place of Presentation
  兵庫県立大学, 兵庫県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] The potentials of the atoms around Mg2+ in the H-ras GTP complex and in the H-ras GDP complex2011
- Author(s)
  Takeshi Miyakawa, Ryota Morikawa, Masako Takasu, Kimikazu Sugimori, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI)
- Place of Presentation
  石川県立美術館, 石川県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 熱力学的積分法を用いた Hsp90 と基質分子の結合自由エネルギープロフィール2011
- Author(s)
  川口一朋，A. Purqon，齋藤大明，長尾秀実
- Organizer
  第25回分子シミュレーション討論会
- Place of Presentation
  東京工業大学, 東京
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] ドパミン受容体－リガンド分子間の結合自由エネルギー解析2011
- Author(s)
  高木啓行，川口一朋，齋藤大明，Acep Purqon，長尾秀実
- Organizer
  第５回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター, 北海道
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] PYP構造変化に伴う溶媒和自由エネルギーの変化2011
- Author(s)
  水上卓, 齋藤大明, 長尾秀実
- Organizer
  第４９回生物物理学会年会
- Place of Presentation
  兵庫県立大学, 兵庫県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 分子動力学法によるＤＨＦＲの構造変位に対する自由エネルギー変化2011
- Author(s)
  西村めぐみ, 齋藤大明, 川口一朋, AcepPurqon, 長尾秀実
- Organizer
  第５回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター, 北海道
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Theoretical Study on the Redox Reaction of Azurin in Water Solvent2011
- Author(s)
  Masashi Iwayama, Hiroaki Saito, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI)
- Place of Presentation
  石川県立美術館, 石川県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Structure and dynamics of glutathione and glutathione-transferaseT2-2: a molecular dynamics study2011
- Author(s)
  Yuriko Omae, Hiroaki Saito, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI)
- Place of Presentation
  石川県立美術館, 石川県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Free energy profile of water across cholesterol containing lipid bilayer2011
- Author(s)
  Hiroaki Saito, Wataru Shinoda
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI)
- Place of Presentation
  石川県立美術館, 石川県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Hras-GTP 結合系ならびに Hras-GDP 結合系の分子動力学シミュレーション2011
- Author(s)
  宮川毅，森河良太，高須昌子，杉森公一，川口一朋，齋藤大明，長尾秀実
- Organizer
  第25回分子シミュレーション討論会
- Place of Presentation
  東京工業大学, 東京
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] H-ras GTP複合体とH-ras GDP複合体の分子動力学シミュレーション2011
- Author(s)
  宮川毅, 森河良太, 高須昌子, 齋藤大明, 長尾秀実
- Organizer
  第４９回生物物理学会年会
- Place of Presentation
  兵庫県立大学, 兵庫県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 量子化学計算によるアスコルビン酸の酸化還元電位2011
- Author(s)
  杉森哲也，齋藤大明，川口一朋，西川清，長尾秀実
- Organizer
  第５回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター, 北海道
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] グラミシジンAを添加した脂質二重層膜の分子動力学シミュレーション2011
- Author(s)
  齋藤大明，アチェププルコン，川口一朋，長尾秀実
- Organizer
  第５回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター, 北海道
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] コレステロールを含んだ脂質二重膜の水分子透過性2011
- Author(s)
  齋藤大明，篠田渉
- Organizer
  第25回分子シミュレーション討論会
- Place of Presentation
  東京工業大学, 東京
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 分子動力学シミュレーションによるグルタチオンとグルタチオン転移酵素T2-2の結合エネルギー計算2011
- Author(s)
  大前裕莉子，齋藤大明，川口一朋，長尾秀実
- Organizer
  第５回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター, 北海道
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] Free energy of cell-penetrating peptide in lipid bilayer membrane: coarse-grained simulation2011
- Author(s)
  Shuhei Kawamoto, Takeshi Miyakawa, Masako Takasu, Ryota Morikawa, Tatsuki Oda, Hiroaki Saito, Shiroh Futaki
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI)
- Place of Presentation
  石川県立美術館, 石川県
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 分子動力学法によるHsp90と基質分子の自由エネルギー解析2011
- Author(s)
  川口一朋、Acep Purqon、齋藤大明、長尾秀実
- Organizer
  第５回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター, 北海道
- Data Source
  KAKENHI-PROJECT-23750008
[Presentation] 水溶液中の粒子間に働く力の粒子サイズ依存性
- Author(s)
  川口一朋, 齋藤大明, 長尾秀実
- Organizer
  第 28 回分子シミュレーション討論会
- Place of Presentation
  仙台
- Year and Date
  2014-11-12 – 2014-11-14
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] 胃内部脂質二重層膜の構造安定性に関する理論的研究
- Author(s)
  堀口翔吾, 齋藤大明, 川口一朋, 長尾秀実
- Organizer
  第８回分子科学会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Comparative Studies in Prediction Solvation Free Energy in Octanol of Organic Compounds
- Author(s)
  Sri Rahayu Natasia, Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  第８回分子科学会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Exploring an accurate ligand-binding pose: ensemble-based docking study
- Author(s)
  Hiroaki Saito
- Organizer
  55th Sanibel symposium
- Place of Presentation
  St. Simons island, GA, USA
- Year and Date
  2015-02-15 – 2015-02-20
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] フレキシブルモデルを用いた分子ドッキング法の開発
- Author(s)
  齋藤大明，川口一朋，長尾秀実
- Organizer
  第８回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] タンパク質間の解離過程における自由エネルギー地形に関する理論的研究
- Author(s)
  松井貴寛, 齋藤大明, 川口一朋, 長尾秀実
- Organizer
  第８回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] Development of molecular docking method with flexible ligand/receptor model
- Author(s)
  Hiroaki Saito, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  The 3rd International symposium on chemical biology of natural products: target ID and regulation of bioactivity
- Place of Presentation
  千里
- Year and Date
  2014-10-28 – 2014-10-29
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] 膜透過ペプチドによる脂質二重膜の４種類の変形
- Author(s)
  川本周平, 高須昌子, 宮川毅, 森河良太, 小田竜樹, 齋藤大明, 二木史朗, 長尾秀実
- Organizer
  物理学会秋年会
- Place of Presentation
  富山大学（富山県）
- Data Source
  KAKENHI-PROJECT-23655101
[Presentation] Theoretical study of distribution of ADP in binding pocket of Hsp90
- Author(s)
  Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  第５２回日本生物物理学会年会
- Place of Presentation
  札幌
- Year and Date
  2014-09-25 – 2014-09-26
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] Computation of redox potential of molecules by energy representation method
- Author(s)
  Masashi Iwayama, Kazutomo Kawaguchi, Hiroaki Saito, and Hidemi Nagao
- Organizer
  International Symposium On Computational Science 2015
- Place of Presentation
  Kanazawa, Japan
- Year and Date
  2015-02-17 – 2015-02-18
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] フレキシブルレセプターモデルを用いた分子ドッキング
- Author(s)
  齋藤大明, 川口一朋, 長尾秀実
- Organizer
  第 28 回分子シミュレーション討論会
- Place of Presentation
  仙台
- Year and Date
  2014-11-12 – 2014-11-14
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Hras-GTP の GTP 周辺での溶媒水と複合体の水素結合の分子動力学法による研究
- Author(s)
  宮川毅, 森河良太, 高須昌子, 杉森公一, 川口一朋, 齋藤大明, 長尾秀実
- Organizer
  日本物理学会2014年秋季大会
- Place of Presentation
  中部大学
- Year and Date
  2014-09-07 – 2014-09-11
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] MD法とQM/MM計算によるブルー銅タンパク質の酸化還元電位に関する理論的研究
- Author(s)
  岩山将士，齋藤大明，川口一朋，長尾秀実
- Organizer
  第８回分子科学会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Molecular docking study of structure and binding energy of ligand-protein complex in dissociation process
- Author(s)
  Hiroaki Saito, Kazutomo Kawaguchi, Hidemi Nagao
- Organizer
  第５２回生物物理年会
- Place of Presentation
  札幌
- Year and Date
  2014-09-25 – 2014-09-26
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Prediction of Solvation Free Energy of Proteins: Molecular Dynamics Simulation and QSPR Model Approach
- Author(s)
  Sri R. Natasia, Hiroaki Saito, Taku Mizukami, Kazutomo Kawaguchi and Hidemi Nagao
- Organizer
  International Symposium On Computational Science 2015
- Place of Presentation
  Kanazawa, Japan
- Year and Date
  2015-02-17 – 2015-02-18
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] タンパク質間の解離過程における自由エネルギー地形に関する理論的研究
- Author(s)
  松井貴寛, 齋藤大明, 川口一朋, 長尾秀実
- Organizer
  第８回分子科学会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Hras-GTP の GTP 周辺での溶媒水と複合体の水素結合の分子動力学法による研究
- Author(s)
  宮川毅, 森河良太, 高須昌子, 杉森公一, 川口一朋, 齋藤大明, 長尾秀実
- Organizer
  日本物理学会2014年秋季大会
- Place of Presentation
  中部大学
- Year and Date
  2014-09-07 – 2014-09-11
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] Thermal Stability of Gramicidin A in Lipid Bilayer: A Free Energy Analysis
- Author(s)
  Hiroaki Saito
- Organizer
  International Symposium on Extended Molecular Dynamics and Enhanced Sampling: Nosé Dynamics 30 Years (NOSE30)
- Place of Presentation
  Keio University
- Year and Date
  2014-10-10 – 2014-10-11
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] Theoretical study of distribution of ADP in binding pocket of Hsp90
- Author(s)
  Kazutomo Kawaguchi, Hiroaki Saito, Hidemi Nagao
- Organizer
  第５２回生物物理年会
- Place of Presentation
  札幌
- Year and Date
  2014-09-25 – 2014-09-26
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] フレキシブルモデルを用いた分子ドッキング法の開発
- Author(s)
  齋藤大明，川口一朋，長尾秀実
- Organizer
  第８回分子科学会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] MD法とQM/MM計算によるブルー銅タンパク質の酸化還元電位に関する理論的研究
- Author(s)
  岩山将士，齋藤大明，川口一朋，長尾秀実
- Organizer
  第８回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26400429
[Presentation] 分子動力学法による多層ラメラ脂質二重層膜の安定性に関する研究
- Author(s)
  田中勇真, 齋藤大明, 川口一朋, 長尾秀実
- Organizer
  第８回分子科学会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102722
[Presentation] 水溶媒中の Hras-GTP 複合体の溶媒水との水素結合の解析
- Author(s)
  宮川毅, 森河良太, 高須昌子, 杉森公一, 川口一朋, 齋藤大明, 長尾秀実
- Organizer
  第 28 回分子シミュレーション討論会
- Place of Presentation
  仙台
- Year and Date
  2014-11-12 – 2014-11-14
- Data Source
  KAKENHI-PUBLICLY-26102722

1. NAGAO Hidemi (30291892)

# of Collaborated Projects: 2 results

# of Collaborated Products: 41 results
2. KAWAGUCHI Kazutomo (90402429)

# of Collaborated Projects: 2 results

# of Collaborated Products: 31 results
3. NAGAYAMA Masaharu (20314289)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. IWASAKI Hiroshi (30242514)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 水上卓 (50270955)

# of Collaborated Projects: 1 results

# of Collaborated Products: 11 results
6. 中尾裕之 (00805020)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
7. 森下徹也 (10392672)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
8. NAKAGAWA Satoshi

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
9. KODAMA Koichi

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. Kurniawan Isman

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. Saleh Arwansyah

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. SHINODA Wataru

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
13. KANOH Naoki

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
14. 上田実

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
15. 高岡洋輔

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
16. 西山賢一

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
17. 吉本則之

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
18. 岩渕好治

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

saito hiroaki 齋藤 大明

SAITO Hiroaki 齋藤 大明

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生体膜に会合する化学コミュニケーション分子の機能解明と計算分子設計技術の開発Principal Investigator

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In silico molecular design of transmembrane peptide induces lipid flippingPrincipal Investigator

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In silico molecular design by means of deep learning and molecular simulationPrincipal Investigator

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Development of target-based molecular docking method by means of machine learning and molecular simulationPrincipal Investigator

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ドッキングと分子シミュレーションの連帯によるタンパク質複合体の高精度構造予測Principal Investigator

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Theoretical study on dynamics of electron carriers in photosynthesis stressed by light irradiation

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Theoretical studies on possibility of the entrainment in molecular systems

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Molecualr dynamics study on the molecuar permeability of membrane proteinPrincipal Investigator

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[Journal Article] Subtype-selective agonists of plant hormone co-receptor COI1-JAZs identified from the stereoisomers of coronatine2023

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[Journal Article] Discovery of a cystathionine γ-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5′-phosphate (PLP) via Schiff base formation2023

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[Journal Article] Molecular dynamics study of lipid bilayer asymmetry induced by ion concentration gradient and electronic polarizability2022

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[Journal Article] Design, Synthesis, and Antifungal Activity of 16,17-Dihydroheronamide C and <i>ent</i>-Heronamide C2021

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[Journal Article] Extended JAZ degron sequence for plant hormone binding in jasmonate co-receptor of tomato SlCOI1-SlJAZ2021

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[Journal Article] Structural Feature of Lipid Scrambling Model Transmembrane Peptides: Same-Side Positioning of Hydrophilic Residues and Their Deeper Position2020

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saito hiroaki 齋藤大明

SAITO Hiroaki 齋藤大明