2003年10月28日
Molecular dynamics of C-peptide of ribonuclease A studied by replica-exchange Monte Carlo method and diffusion theory
Chemical Physics Letters
- ,
- ,
- ,
- 巻
- 380
- 号
- 5-6
- 開始ページ
- 609
- 終了ページ
- 619
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1016/j.cplett.2003.07.031
- 出版者・発行元
- ELSEVIER SCIENCE BV
Generalized-ensemble algorithm and diffusion theory have been combined in order to compute the dynamical properties monitored by nuclear magnetic resonance (NMR) experiments from efficient and reliable evaluation of statistical averages. Replica-exchange Monte Carlo simulations have been performed with a C-peptide analogue of ribonuclease A, and the Smoluchowski diffusion equation has been applied. A fairly good agreement between the calculated and measured 1H-NOESY NMR cross peaks has been obtained. The combination of these advanced and continuously improving statistical tools allows the calculation of a wide variety of dynamical properties routinely obtained by experiments. © 2003 Elsevier B.V. All rights reserved.
Web of Science ® 被引用回数 : 16
Web of Science ® の 関連論文(Related Records®)ビュー
- リンク情報
-
- DOI
- https://doi.org/10.1016/j.cplett.2003.07.031
- arXiv
- http://arxiv.org/abs/cond-mat/0309149
- Web of Science
- https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000186265500021&DestApp=WOS_CPL
- URL
- http://arxiv.org/abs/cond-mat/0309149v1
- URL
- http://arxiv.org/pdf/cond-mat/0309149v1 本文へのリンクあり
- Scopus
- https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0142248393&origin=inward
- Scopus Citedby
- https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=0142248393&origin=inward
- ID情報
-
- DOI : 10.1016/j.cplett.2003.07.031
- ISSN : 0009-2614
- arXiv ID : cond-mat/0309149
- SCOPUS ID : 0142248393
- Web of Science ID : WOS:000186265500021