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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Detalles Bibliográficos
Autores principales: Ricci, Clarisse Gravina, Li, Bo, Cheng, Li-Tien, Dzubiella, Joachim, McCammon, J. Andrew
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2018
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5816062/
https://www.ncbi.nlm.nih.gov/pubmed/29484300
http://dx.doi.org/10.3389/fmolb.2018.00013

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5816062/
https://www.ncbi.nlm.nih.gov/pubmed/29484300
http://dx.doi.org/10.3389/fmolb.2018.00013

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