Coarse-Grained Directed Simulation

Hocky, GM; Dannenhoffer-Lafage, T; Voth, GA

Voth, GA (reprint author), Univ Chicago, Dept Chem, James Franck Inst, 5735 South Ellis Ave, Chicago, IL 60637 USA.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017; 13 (9): 4593

Abstract

Many free-energy sampling and quantum mechanics/molecular mechanics (QM/MM) computations on protein complexes have been performed where, by necessity,......

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