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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...

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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

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