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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...
Autores principales: | Mukhopadhyay, Abhishek, Aguilar, Boris H., Tolokh, Igor S., Onufriev, Alexey V. |
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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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