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Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics
Replica exchange accelerated molecular dynamics (REXAMD) is a method that enhances conformational sampling while retaining at least one replica on the original potential, thus avoiding the statistical problems of exponential reweighting. In this paper we study three methods that can combine the data...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2700186/ https://ncbi.nlm.nih.gov/pubmed/19421994 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21285 |
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