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Phase-field approach to implicit solvation of biomolecules with Coulomb-field approximation
A phase-field variational implicit-solvent approach is developed for the solvation of charged molecules. The starting point of such an approach is the representation of a solute-solvent interface by a phase field that takes one value in the solute region and another in the solvent region, with a smo...
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| Hauptverfasser: | , , , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
AIP Publishing LLC
2013
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3724799/ https://ncbi.nlm.nih.gov/pubmed/23862933 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4812839 |
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