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On the Application of Accelerated Molecular Dynamics to Liquid Water Simulations

Our group recently proposed a robust bias potential function that can be used in an efficient all-atom accelerated molecular dynamics approach to simulate the transition of high energy barriers without any advance knowledge of the potential energy landscape. The main idea is to modify the potential-...

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Detalhes bibliográficos
Main Authors: de Oliveira, César Augusto F, Hamelberg, Donald, McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2556231/
https://ncbi.nlm.nih.gov/pubmed/17092018
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp062845o
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