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J-GLOBAL ID：202002268968839141   Reference number：20A0623059

Analysis of molecular dynamics simulations of 10-residue peptide, chignolin, using statistical mechanics: Relaxation mode analysis and three-dimensional reference interaction site model theory

統計力学を用いた10アミノ酸残基ペプチドChignolinの分子動力学シミュレーションの解析:緩和モード解析と三次元参照相互作用部位モデル理論

Author (3)： Maruyama Yutaka (Architecture Development Team, FLAGSHIP 2020 Project, RIKEN Center for Computational Science) ,  Takano Hiroshi (Department of Physics, Faculty of Science and Technology, Keio University) ,  Mitsutake Ayori (Department of Physics, School of Science and Technology, Meiji University)
Material： Biophysics and Physicobiology (Web)  (Biophys Physicobiology (Web))
Volume： 16  Page： 407-429(J-STAGE)  Publication year： 2019 
JST Material Number： U0030A  ISSN： 2189-4779  Document type： Article
Article type： 文献レビュー  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： simulation ,...
Semi thesaurus term： *chignolin ,...

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Author keywords (5)： molecular simulation ,  protein ,  analysis method ,  dynamics ,  stability

JST classification (2)： Molecular structure  (EB03020Y) ,  Molecular and genetic information processing  (JE15040B)

Reference (182)：

• [1] Go, N. Theoretical studies of protein folding. Annu. Rev. Biophys. Bioeng. 12, 183-210 (1983).
• [2] Braun, W. & Go, N. Calculation of protein conformations by proton-proton distance constraints: A new efficient algorithm. J. Mol. Biol. 186, 611-626 (1985).
• [3] Go, N., Noguti, T. & Nishikawa, T. Dynamics of a small globular protein in terms of low-frequency vibrational modes. Proc. Natl. Acad. Sci. USA 80, 3696-3700 (1983).
• [4] Kitao, A., Hirata, F. & Go, N. The effects of solvent on the conformation and the collective motions of protein: normal mode analysis and molecular dynamics simulations of melittin in water and in vacuum. Chem. Phys. 158, 447-472 (1991).
• [5] Kitao, A., Hirata, F. & Go, N. Effects of solvent on the conformation and the collective motions of a protein. 2. structure of hydration in melittin. J. Phys. Chem. 97, 10223-10230 (1993).

Terms in the title (11)： 統計力学 ,  アミノ酸残基 ,  ペプチド ,  chignolin ,  分子動力学シミュレーション ,  解析 ,  緩和 ,  モード解析 ,  参照 ,  作用部位 ,  モデル理論