Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy

Olgun Guvench, Jörg Weiser, Peter S. Shenkin, István Kolossváry, W. Clark Still. Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy. Journal of Computational Chemistry, 23(2):214-221, 2002. [doi]

Abstract

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