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The multicanonical Weighted Histogram Analysis Method for the free energy landscape along structural transition paths

Progress of Theoretical Physics Supplement (2000) (138) 394-395
DOI: 10.1143/PTPS.138.394
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Abstract

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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Ono, S., Nakajima, N., Higo, J., & Nakamura, H. (2000). The multicanonical Weighted Histogram Analysis Method for the free energy landscape along structural transition paths. Progress of Theoretical Physics Supplement, (138), 394–395. https://doi.org/10.1143/PTPS.138.394

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