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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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Библиографические подробности
Опубликовано в: :J Chem Theory Comput
Главные авторы: Leontyev, Igor V., Stuchebrukhov, Alexei A.
Формат: Artigo
Язык:Inglês
Опубликовано: 2012
Предметы:
Online-ссылка: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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