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J-GLOBAL ID：201902263422022259   Reference number：19A1579664

Determination of the structural ensemble of the molten globule state of a protein by computer simulations

計算機シミュレーションによる蛋白質のモルテングロビュール状態の構造アンサンブルの決定【JST・京大機械翻訳】

Author (10)： Shimizu Masahiro (Department of Physics, Graduate School of Science, Nagoya University, Nagoya, Aichi, Japan) ,  Kajikawa Yukihito (Department of Physics, Graduate School of Science, Nagoya University, Nagoya, Aichi, Japan) ,  Kuwajima Kunihiro (Department of Physics, Graduate School of Science, University of Tokyo, Tokyo, Japan) ,  Kuwajima Kunihiro (School of Computational Sciences, Korea Institute for Advanced Study (KIAS), Seoul, Korea) ,  Dobson Christopher M. (Centre for Misfolding Diseases, Department of Chemistry, University of Cambridge, Cambridge, UK) ,  Okamoto Yuko (Department of Physics, Graduate School of Science, Nagoya University, Nagoya, Aichi, Japan) ,  Okamoto Yuko (Information Technology Center, Nagoya University, Nagoya, Aichi, Japan) ,  Okamoto Yuko (Structural Biology Research Center, Graduate School of Science, Nagoya University, Nagoya, Aichi, Japan) ,  Okamoto Yuko (Center for Computational Science, Graduate School of Engineering, Nagoya University, Nagoya, Aichi, Japan) ,  Okamoto Yuko (JST-CREST, Nagoya, Aichi, Japan)
Material： Proteins: Structure, Function, and Bioinformatics  (Proteins Struct Funct Bioinforma)
Volume： 87  Issue： 8  Page： 635-645  Publication year： 2019 
JST Material Number： T0761A  ISSN： 0887-3585  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： We have used computer simulati...

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Thesaurus term： *computer simulation ,  radius of gyration ,  microsphere ,  steric conformation ,  free energy ,  reaction coordinate ,  *protein ,  structural property ,  lysozyme
Semi thesaurus term： アンブレラサンプリング ,  分子動力学シミュレーション ,  ヒストグラム解析 ,  加重 ,  レプリカ交換 ,  *モルテングロビュール , 【Automatic Indexing@JST】

Author keywords (7)： canine milk lysozyme ,  folding intermediate state ,  generalized-ensemble algorithm ,  molecular dynamics simulation ,  molten globule ,  protein folding ,  replica-exchange umbrella sampling

JST classification (2)： Molecular structure  (EB03020Y) ,  Enzyme in general  (EB09010D)

Terms in the title (4)： 計算機シミュレーション ,  蛋白質 ,  モルテングロビュール ,  アンサンブル