Replica-exchange multicanonical and multicanonical replica-exchange Monte Carlo simulations of peptides. II. Application to a more complex system

Ayori Mitsutake, Yugi Sugita, Yuko Okamoto

研究成果: Article査読

81 被引用数 (Scopus)

抄録

Detailed comparisons of performances of the generalized-ensemble algorithms were given with a more complex system. It was shown that these new algorithms were much more efficient and effective than a well-known generalized-ensemble algorithm, namely a replica-exchange method. It turned out that iterations of replica-exchange multicanonical algorithm (REMUCA) and/or multicanonical replica-exchange method (MUCAREM) simulations further improve the performance.

本文言語English
ページ(範囲)6676-6688
ページ数13
ジャーナルJournal of Chemical Physics
118
14
DOI
出版ステータスPublished - 2003 4月 8

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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