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Replica-exchange multicanonical and multicanonical replica-exchange Monte Carlo simulations of peptides. II. Application to a more complex system
http://hdl.handle.net/2237/00029123
http://hdl.handle.net/2237/000291231385f3a0-dc32-495b-bec0-8d8e134c871b
名前 / ファイル | ライセンス | アクション |
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2018-12-21 | |||||
タイトル | ||||||
タイトル | Replica-exchange multicanonical and multicanonical replica-exchange Monte Carlo simulations of peptides. II. Application to a more complex system | |||||
言語 | en | |||||
著者 |
Mitsutake, Ayori
× Mitsutake, Ayori× Sugita, Yuji× Okamoto, Yuko |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | Copyright 2003 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.The following article appeared in (The Journal of Chemical Physics. v.118, n.14, 2003, p.6676-6688) and may be found at (http://dx.doi.org/10.1063/1.1555849). | |||||
抄録 | ||||||
内容記述 | In Paper I of this series the formulations of the replica-exchange multicanonical algorithm and the multicanonical replica-exchange method for Monte Carlo versions have been presented. The effectiveness of these algorithms were then tested with the system of a penta peptide, Met-enkephalin, in the gas phase. In this article the detailed comparisons of performances of these algorithms together with the regular replica-exchange method are made, taking a more complex system of a 17-residue helical peptide. It is shown that these two new algorithms are more efficient than the regular replica-exchange method. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | AIP Publishing | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1063/1.1555849 | |||||
ISSN(print) | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 0021-9606 | |||||
書誌情報 |
en : The Journal of Chemical Physics 巻 118, 号 14, p. 6676-6688, 発行日 2003-04-08 |
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著者版フラグ | ||||||
値 | publisher |