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The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii

✍ Scribed by Qiu, Di; Shenkin, Peter S.; Hollinger, Frank P.; Still, W. Clark

Book ID
126120614
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
235 KB
Volume
101
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES

Application of the frozen atom approxima
Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy
✍ Olgun Guvench; JΓΆrg Weiser; Peter Shenkin; IstvΓ‘n KolossvΓ‘ry; W. Clark Still πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 135 KB

## Abstract The generalized Born/surface area (GB/SA) continuum model for solvation free energy is a fast and accurate alternative to using discrete water molecules in molecular simulations of solvated systems. However, computational studies of large solvated molecular systems such as enzyme–ligand