Update of the CHARMM all-atom additive force field for lipids: Validation on six lipid types

A significant modification to the additive all-atom CHARMM lipid force field (FF) is developed and applied to phospholipid bilayers with both choline and ethanolamine containing head groups and with both saturated and unsaturated aliphatic chains. Motivated by the current CHARMM lipid FF (C27 and C2...

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Detalhes bibliográficos
Main Authors: Klauda, Jeffery B., Venable, Richard M., Freites, J. Alfredo, O’Connor, Joseph W., Tobias, Douglas J., Mondragon-Ramirez, Carlos, Vorobyov, Igor, MacKerell, Alexander D., Pastor, Richard W.
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2922408/
https://ncbi.nlm.nih.gov/pubmed/20496934
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp101759q
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