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Polarizable Mean-Field Model of Water for Biological Simulations with Amber and Charmm force fields

Although a great number of computational models of water are available today, the majority of current biological simulations are done with simple models, such as TIP3P and SPC, developed almost thirty years ago and only slightly modified since then. The reason is that the non-polarizable force field...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Leontyev, Igor V., Stuchebrukhov, Alexei A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4285689/
https://ncbi.nlm.nih.gov/pubmed/25580096
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300011h
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