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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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Bibliographic Details
Main Authors: Thomas, Dennis G., Chun, Jaehun, Chen, Zhan, Wei, Guowei, Baker, Nathan A.
Format: Artigo
Language:Inglês
Published: 2012
Subjects:
Online Access: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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