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Parameter optimization in differential geometry based solvation models
Differential geometry (DG) based solvation models are a new class of variational implicit solvent approaches that are able to avoid unphysical solvent-solute boundary definitions and associated geometric singularities, and dynamically couple polar and non-polar interactions in a self-consistent fram...
שמור ב:
| הוצא לאור ב: | J Chem Phys |
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| Main Authors: | , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
AIP Publishing LLC
2015
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4602332/ https://ncbi.nlm.nih.gov/pubmed/26450304 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4932342 |
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