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On the Modeling of Polar Component of Solvation Energy using Smooth Gaussian-Based Dielectric Function

Traditional implicit methods for modeling electrostatics in biomolecules use a two-dielectric approach: a biomolecule is assigned low dielectric constant while the water phase is considered as a high dielectric constant medium. However, such an approach treats the biomolecule-water interface as a sh...

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Detalhes bibliográficos
Main Authors: Li, Lin, Li, Chuan, Alexov, Emil
Formato: Artigo
Idioma:Inglês
Publicado em: 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4092036/
https://ncbi.nlm.nih.gov/pubmed/25018579
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1142/S0219633614400021
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