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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Bibliografiske detaljer
Main Authors: Mukhopadhyay, Abhishek, Aguilar, Boris H., Tolokh, Igor S., Onufriev, Alexey V.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2014
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3985468/
https://ncbi.nlm.nih.gov/pubmed/24803871
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct4010917
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