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Journal of Chemical Theory and Computation|August 30, 2008
Assessment of Semiempirical Quantum Mechanical Methods for the Evaluation of Protein StructuresAndrew M Wollacott, Kenneth M MerzBiochemistry|July 15, 2014
Mechanistic insights into Mg2+-independent prenylation by CloQ from classical molecular mechanics and hybrid quantum mechanics/molecular mechanics molecular dynamics simulationsCraig A Bayse, Kenneth M MerzJournal of Chemical Information and Modeling|August 21, 2020
Evolution of Alchemical Free Energy Methods in Drug DiscoveryLin Frank Song, Kenneth M MerzJournal of Computational Chemistry|May 21, 2011
Accurate assessment of the strain energy in a protein-bound drug using QM/MM X-ray refinement and converged quantum chemistryZheng Fu, Xue Li, Kenneth M MerzBiochemistry|July 10, 2007
Insights into Cu(I) exchange in HAH1 using quantum mechanical and molecular simulationsBryan T Op't Holt, Kenneth M MerzJournal of Chemical Information and Modeling|February 7, 2019
Random Forest Refinement of the KECSA2 Knowledge-Based Scoring Function for Protein Decoy DetectionJun Pei, Zheng Zheng, Kenneth M MerzBioorganic & Medicinal Chemistry|September 8, 2016
Incorporation of side chain flexibility into protein binding pockets using MTflexNupur Bansal, Zheng Zheng, Kenneth M MerzJournal of the American Chemical Society|December 11, 2003
Ureases: quantum chemical calculations on cluster modelsDimas Suárez, Natalia Díaz, Kenneth M MerzJournal of Computational Chemistry|November 24, 2011
QM/MM refinement and analysis of protein bound retinoic acidXue Li, Zheng Fu, Kenneth M MerzJournal of Chemical Theory and Computation|November 18, 2017
Extended Zinc AMBER Force Field (EZAFF)Zhuoqin Yu, Pengfei Li, Kenneth M MerzPageof 24