Application of the frozen atom approxima
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Olgun Guvench; JΓΆrg Weiser; Peter Shenkin; IstvΓ‘n KolossvΓ‘ry; W. Clark Still
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Article
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2001
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John Wiley and Sons
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English
β 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 enzymeβligand