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Solvation Free Energies of Peptides: Comparison of Approximate Continuum Solvation Models with Accurate Solution of the Poisson−Boltzmann Equation

✍ Scribed by Edinger, Shlomit R.; Cortis, Christian; Shenkin, Peter S.; Friesner, Richard A.


Book ID
126198230
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
160 KB
Volume
101
Category
Article
ISSN
0022-3654

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## 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