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Replica Exchange and Multicanonical Algorithms with the coarse-grained UNRES force field

Three algorithms, namely a Replica Exchange method (REM), a Replica Exchange Multicanonical method (REMUCA), and Replica Exchange Multicanonical with Replica Exchange (REMUCAREM), were implemented with the coarse-grained united-residue force field (UNRES) in both Monte Carlo and Molecular Dynamics v...

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Main Authors: Nanias, Marian, Czaplewski, Cezary, Scheraga, Harold A.
格式: Artigo
語言:Inglês
出版: 2006
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC2538381/
https://ncbi.nlm.nih.gov/pubmed/18797518
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct050253o
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