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J-GLOBAL ID：201702268972003658   Reference number：17A1971004

Structural transition of solvated H-Ras/GTP revealed by molecular dynamics simulation and local network entropy

分子動力学シミュレーションとローカルネットワークエントロピーによって明らかにされた溶媒和H Ras/GTPの構造転移【Powered by NICT】

Author (10)： Matsunaga Shota (Department of Computational Science, Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501, Japan) ,  Hano Yuta (Department of Computational Science, Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501, Japan) ,  Saito Yuta (Department of Computational Science, Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501, Japan) ,  Fujimoto Kazuhiro J. (Faculty of Pharmaceutical Sciences, Hokuriku University, Ho-3 Kanagawa-machi, Kanazawa 920-1181, Japan) ,  Kumasaka Takashi (Protein Crystal Analysis Division, Japan Synchrotron Radiation Research Institute (JASRI), SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198, Japan) ,  Matsumoto Shigeyuki (Division of Molecular Biology, Department of Biochemistry and Molecular Biology, Graduate School of Medicine, Kobe University, 7-5-1 Kusunoki-cho, Chuo-ku, Kobe 650-0017, Japan) ,  Kataoka Tohru (Division of Molecular Biology, Department of Biochemistry and Molecular Biology, Graduate School of Medicine, Kobe University, 7-5-1 Kusunoki-cho, Chuo-ku, Kobe 650-0017, Japan) ,  Shima Fumi (Division of Molecular Biology, Department of Biochemistry and Molecular Biology, Graduate School of Medicine, Kobe University, 7-5-1 Kusunoki-cho, Chuo-ku, Kobe 650-0017, Japan) ,  Shima Fumi (Drug Discovery Science, Division of Advanced Medical Science, Department of Science, Technology and Innovation, Graduate School of Science, Technology and Innovation, Kobe University, 7-5-1 Kusunoki-cho, Chuo-ku, Kobe 650-0017, Japan) ,  Tanaka Shigenori (Department of Computational Science, Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501, Japan)
Material： Journal of Molecular Graphics & Modelling  (J Mol Graph Model)
Volume： 77  Page： 51-63  Publication year： 2017 
JST Material Number： B0044D  ISSN： 1093-3263  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： The state transitions of solva...

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Thesaurus term： nonequilibrium state ,  *solvation ,  mutual transformation ,  statistical mechanics ,  *Ras protein ,  antitumor drug ,  *structural phase transition ,  *molecular dynamics ,  *computer simulation ,  time evolution ,  calculation
Semi thesaurus term： 水和水 ,  状態遷移 ,  構造変化 ,  *H-Ras ,  *分子動力学シミュレーション , 【Automatic Indexing@JST】

Author keywords (5)： Ras ,  Molecular switch ,  Structural transition ,  Molecular dynamics ,  State-transition-based local network entropy

JST classification (3)： Electronic structure of molecules  (BH05010Q) ,  Basic research of enzyme preparations and enzyme inhibitor preparations  (GW21010W) ,  Molecular compounds  (CE02000C)

Terms in the title (6)： 分子動力学シミュレーション ,  エントロピー ,  溶媒和 ,  Ras ,  GTP ,  構造転移