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Modeling Free Energies of Solvation in Olive Oil

Olive oil partition coefficients are useful for modeling the bioavailability of drug-like compounds. We have recently developed an accurate solvation model called SM8 for aqueous and organic solvents (Marenich, A. V.; Olson, R. M.; Kelly, C. P.; Cramer, C. J.; Truhlar, D. G. J. Chem. Theory Comput....

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Main Authors: Chamberlin, Adam C., Levitt, David G., Cramer, Christopher J., Truhlar, Donald G.
Formato: Artigo
Idioma:Inglês
Publicado: 2008
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2772112/
https://ncbi.nlm.nih.gov/pubmed/19434923
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