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Generalized Born Implicit Solvent Models for Biomolecules

It would often be useful in computer simulations to use an implicit description of solvation effects, instead of explicitly representing the individual solvent molecules. Continuum dielectric models often work well in describing the thermodynamic aspects of aqueous solvation, and can be very efficie...

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Detalhes bibliográficos
Publicado no:Annu Rev Biophys
Main Authors: Onufriev, Alexey V., Case, David A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6645684/
https://ncbi.nlm.nih.gov/pubmed/30857399
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1146/annurev-biophys-052118-115325
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