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Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly

Predicting solvation free energies and describing the complex water behavior that plays an important role in essentially all biological processes is a major challenge from the computational standpoint. While an atomistic, explicit description of the solvent can turn out to be too expensive in large...

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Detalhes bibliográficos
Publicado no:Front Mol Biosci
Main Authors: Ricci, Clarisse Gravina, Li, Bo, Cheng, Li-Tien, Dzubiella, Joachim, McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5816062/
https://ncbi.nlm.nih.gov/pubmed/29484300
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fmolb.2018.00013
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