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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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Библиографические подробности
Главные авторы: Zhao, Yanxiang, Kwan, Yuen-Yick, Che, Jianwei, Li, Bo, McCammon, J. Andrew
Формат: Artigo
Язык:Inglês
Опубликовано: AIP Publishing LLC 2013
Предметы:
Online-ссылка: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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