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Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations

Recent years have seen the initial success of a variational implicit-solvent model (VISM), implemented with a robust level-set method, in capturing efficiently different hydration states and providing quantitatively good estimation of solvation free energies of biomolecules. The level-set minimizati...

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Detalhes bibliográficos
Publicado no:J Chem Phys
Main Authors: Zhou, Shenggao, Sun, Hui, Cheng, Li-Tien, Dzubiella, Joachim, Li, Bo, McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4975753/
https://ncbi.nlm.nih.gov/pubmed/27497546
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4959971
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