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Improving the Description of Salt Bridge Strength and Geometry in a Generalized Born Model

The Generalized Born (GB) solvent model is widely used in molecular dynamics simulations because it can be less computationally expensive and it samples conformational changes more efficiently than explicit solvent simulations. Meanwhile, great efforts have been made in the past to improve its preci...

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Detalhes bibliográficos
Main Authors: Shang, Yi, Nguyen, Hai, Wickstrom, Lauren, Okur, Asim, Simmerling, Carlos
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3390179/
https://ncbi.nlm.nih.gov/pubmed/21168352
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2010.11.013
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