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A semiempirical model for estimating the hydration free energy of neutral nonpolar compounds

✍ Scribed by Ratkova, E. L.

Book ID
120509668
Publisher
International Academic Publishing Co (Nauka/Interperiodica)
Year
2012
Tongue
English
Weight
218 KB
Volume
86
Category
Article
ISSN
0036-0244

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## Abstract The development and parameterization of a solvent potential of mean force designed to reproduce the hydration thermodynamics of small molecules and macromolecules aimed toward applications in conformation prediction and ligand binding free energy prediction is presented. The model, name