An analytical derivation of the locally enhanced sampling approximation

Wei-Mou Zheng; Qiang Zheng
January 1997
Journal of Chemical Physics;1/15/1997, Vol. 106 Issue 3, p1191
Academic Journal
Focuses on the derivation of a locally enhanced sampling (LES) approximation used in molecular modeling for a simple quadratic energy function. Reduction of the thermodynamic probability distribution to that of a complex with a single protein and multiple ligands; LES formalism derived from the reduction of the protein phase.


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