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Anisotropic solvent model of the lipid bilayer. 1. Parameterization of long-range electrostatics and first solvation shell effects

A new implicit solvation model was developed for calculating free energies of transfer of molecules from water to any solvent with defined bulk properties. The transfer energy was calculated as a sum of the first solvation shell energy and the long-range electrostatic contribution. The first term wa...

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Detalhes bibliográficos
Main Authors: Lomize, Andrei L., Pogozheva, Irina, Mosberg, Henry I
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3089899/
https://ncbi.nlm.nih.gov/pubmed/21438609
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci2000192
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