QM/MM

QM/MM (Quantum mechanics/Molecular mechanics) approach is a molecular simulation method that combines the strength of both QM (accuracy) and MM (speed) calculations. The methodology for such techniques was introduced by Warshel and coworkers. In the recent years have been pioneered by several groups including: Arieh Warshel (University of Southern California), Weitao Yang (Duke University), Sharon Hammes-Schiffer (The Pennsylvania State University), Donald Truhlar and Jiali Gao (University of Minnesota) and Kenneth Merz (University of Florida).