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New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms
Solvation free energy is a fundamental thermodynamic quantity that should be determined to estimate various physicochemical properties of a molecule and the desolvation cost for its binding to macromolecular receptors. Here, we propose a new solvation free energy function through the improvement of...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3573996/ https://www.ncbi.nlm.nih.gov/pubmed/23379425 http://dx.doi.org/10.1186/1758-2946-5-8 |