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A generalized G-SFED continuum solvation free energy calculation model

An empirical continuum solvation model, solvation free energy density (SFED), has been developed to calculate solvation free energies of a molecule in the most frequently used solvents. A generalized version of the SFED model, generalized-SFED (G-SFED), is proposed here to calculate molecular solvat...

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Detalles Bibliográficos
Main Authors: Lee, Sehan, Cho, Kwang-Hwi, Kang, Young-Mook, Scheraga, Harold A., No, Kyoung Tai
Formato: Artigo
Idioma:Inglês
Publicado: National Academy of Sciences 2013
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3581891/
https://ncbi.nlm.nih.gov/pubmed/23378634
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1221940110
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