Replica-exchange multicanonical and multicanonical replica-exchange Monte Carlo simulations of peptides. I. Formulation and benchmark test

Ayori Mitsutake, Yugi Sugita, Yuko Okamoto

研究成果: Article査読

115 被引用数 (Scopus)

抄録

Generalized-ensemble algorithms are very powerful simulation methods for configurational sampling of complex systems. In particular, two of the generalized-ensemble algorithms are now commonly used in the protein folding problem. This paper presents the details of the MC versions of two new generalized-ensemble algorithms, which combine the merit of multicanonical algorithm and replica-exchange method.

本文言語English
ページ(範囲)6664-6675
ページ数12
ジャーナルJournal of Chemical Physics
118
14
DOI
出版ステータスPublished - 2003 4 8

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

フィンガープリント 「Replica-exchange multicanonical and multicanonical replica-exchange Monte Carlo simulations of peptides. I. Formulation and benchmark test」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル