Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach

Art E. Cho, Victor Guallar, Bruce J. Berne, Richard A. Friesner. Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach. Journal of Computational Chemistry, 26(9):915-931, 2005. [doi]

Abstract

Abstract is missing.