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  1. B100 理学部/理学研究科
  2. B100a 雑誌掲載論文
  3. 学術雑誌

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/2237/00029123
1385f3a0-dc32-495b-bec0-8d8e134c871b
名前 / ファイル ライセンス アクション
1_1555849.pdf 1_1555849 (539.2 kB)
Item type 学術雑誌論文 / Journal Article(1)
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

WEKO 88209

en Mitsutake, Ayori

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Sugita, Yuji

× Sugita, Yuji

WEKO 88210

en Sugita, Yuji

Search repository
Okamoto, Yuko

× Okamoto, Yuko

WEKO 88211

en Okamoto, Yuko

Search repository
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
著者版フラグ
値 publisher
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