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DIFFUSED SOLUTE-SOLVENT INTERFACE WITH POISSON–BOLTZMANN ELECTROSTATICS: FREE-ENERGY VARIATION AND SHARP-INTERFACE LIMIT
A phase-field free-energy functional for the solvation of charged molecules (e.g., proteins) in aqueous solvent (i.e., water or salted water) is constructed. The functional consists of the solute volumetric and solute-solvent interfacial energies, the solute-solvent van der Waals interaction energy,...
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| Publicado no: | SIAM J Appl Math |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4752183/ https://ncbi.nlm.nih.gov/pubmed/26877556 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1137/15M100701X |
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