Introducing Charge Hydration Asymmetry into the Generalized Born Model

[Image: see text] The effect of charge hydration asymmetry (CHA)—non-invariance of solvation free energy upon solute charge inversion—is missing from the standard linear response continuum electrostatics. The proposed charge hydration asymmetric–generalized Born (CHA–GB) approximation introduces thi...

Descripción completa

Detalles Bibliográficos
Autores principales: Mukhopadhyay, Abhishek, Aguilar, Boris H., Tolokh, Igor S., Onufriev, Alexey V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3985468/
https://www.ncbi.nlm.nih.gov/pubmed/24803871
http://dx.doi.org/10.1021/ct4010917

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3985468/
https://www.ncbi.nlm.nih.gov/pubmed/24803871
http://dx.doi.org/10.1021/ct4010917

Ejemplares similares