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The Importance of Excluded Solvent Volume Effects in Computing Hydration Free Energies

✍ Scribed by Yang, Pei-Kun; Lim, Carmay


Book ID
118228950
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
278 KB
Volume
112
Category
Article
ISSN
0022-3654

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πŸ“œ SIMILAR VOLUMES


The generalized Born/volume integral imp
✍ Paul Labute πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 197 KB

## Abstract A new generalized Born model for estimating the free energy of hydration is presented. The new generalized Born/volume integral (GB/VI) estimates the free energy of hydration as a classical electrostatic energy plus a cavitation energy that is not based upon atomic surface area (SA) use