The Multicanonical Weighted Histogram Analysis Method for the Free Energy Landscape along Structural Transition Paths

A new algorithm for revealing the free energy barrier among stable states was developed by combining the multicanonical ensemble with the Weighted Histogram Analysis Method. The method was applied to the cis-trans imide isomerization of a blocked peptide dimer, -Ala-Pro-.

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Bibliographic Details
Published inProgress of theoretical physics. Supplement Vol. 138; pp. 394 - 395
Main Authors Ono, Satoshi, Nakajima, Nobuyuki, Higo, Junichi, Nakamura, Haruki
Format Journal Article
LanguageEnglish
Published Oxford University Press 01.01.2000
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Summary:A new algorithm for revealing the free energy barrier among stable states was developed by combining the multicanonical ensemble with the Weighted Histogram Analysis Method. The method was applied to the cis-trans imide isomerization of a blocked peptide dimer, -Ala-Pro-.
ISSN:0375-9687
DOI:10.1143/PTPS.138.394