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Parameterization of a Geometric Flow Implicit Solvation Model

Implicit solvent models are popular for their high computational efficiency and simplicity over explicit solvent models and are extensively used for computing molecular solvation properties. The accuracy of implicit solvent models depends on the geometric description of the solute-solvent interface...

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Detalhes bibliográficos
Main Authors: Thomas, Dennis G., Chun, Jaehun, Chen, Zhan, Wei, Guowei, Baker, Nathan A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3578971/
https://ncbi.nlm.nih.gov/pubmed/23212974
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23181
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