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Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation
Central in the variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett.2006, 96, 087802 and J. Chem. Phys.2006, 124, 084905] of molecular solvation is a mean-field free-energy functional of all possible solute–solvent interfaces or dielectric boundaries. Such a fu...
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| Autors principals: | , , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical Society
2011
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| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3278970/ https://ncbi.nlm.nih.gov/pubmed/22346739 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200647j |
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