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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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| Main Authors: | , , , , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
2012
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| 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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