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Glass transition in an off-lattice protein model studied by molecular dynamics simulations.
http://hdl.handle.net/2297/1683
http://hdl.handle.net/2297/1683bcbcce4d-89e7-4c36-b778-35346f896249
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
SC-PR-HIWATARI-Y-PhysRevE_67_011912.pdf (90.7 kB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||
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| 公開日 | 2017-10-03 | |||||
| タイトル | ||||||
| タイトル | Glass transition in an off-lattice protein model studied by molecular dynamics simulations. | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
| 資源タイプ | journal article | |||||
| 著者 |
Baumketner, A.
× Baumketner, A.× Shea, J.E.× Hiwatari, Yasuaki |
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| 提供者所属 | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | 金沢大学理学部 | |||||
| 書誌情報 |
Physical Review E 巻 67, 号 1, p. 011912-1-011912-6, 発行日 2003-01-01 |
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| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 15393755 | |||||
| DOI | ||||||
| 関連タイプ | isIdenticalTo | |||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | https://doi.org/10.1103/physreve.67.011912 | |||||
| その他の識別子 | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | AA11558033 | |||||
| 出版者 | ||||||
| 出版者 | The American Physical Society | |||||
| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | In this paper we report the results of a numerical investigation of the glass transition phenomenon in a minimalist protein model. The inherent structure theory of Stillinger and Weber was applied to an off-lattice protein model with a native state b-sheet motif. By using molecular dynamics simulations and the steepest descent method, sets of local potential energy minima were generated for the model over a range of temperatures. The mean potential energy of the inherent structures allowed to make rough estimates of the glasstransition temperature TK . More accurately TK was computed by direct evaluations of the total and vibrational entropies. It is found that for the present model the thermodynamic ratio of the folding and glass-transition temperatures is 1.7 which is in good agreement with experimental observations. | |||||
| 権利 | ||||||
| 権利情報 | © 2003 The American Physical Society | |||||
| 著者版フラグ | ||||||
| 出版タイプ | VoR | |||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
