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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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Detalles Bibliográficos
Publicado en:Annu Rev Biophys
Autores principales: Onufriev, Alexey V., Case, David A.
Formato: Artigo
Lenguaje:Inglês
Publicado: 2019
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Acceso en línea: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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