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Journal of Molecular Graphics & Modelling|October 4, 2005
Quantum mechanical description of the interactions between DNA and waterLance M Westerhoff, Kenneth M MerzDrug Discovery Today|September 3, 2013
Fragment-based error estimation in biomolecular modelingJohn C Faver, Kenneth M MerzJournal of Molecular Graphics & Modelling|September 22, 2006
Haptic applications for molecular structure manipulationAndrew M Wollacott, Kenneth M MerzThe Journal of Physical Chemistry. A|June 19, 2007
Assessment of density functional theory methods for the computation of heats of formation and ionization potentials of systems containing third row transition metalsKevin E Riley, Kenneth M MerzThe Journal of Chemical Physics|July 16, 2008
An efficient and accurate molecular alignment and docking technique using ab initio quality scoringLászló Füsti-Molnár, Kenneth M MerzJournal of Computer-Aided Molecular Design|August 22, 2002
Can we separate active from inactive conformations?David J Diller, Kenneth M MerzThe Journal of Physical Chemistry. B|July 21, 2006
Effects of fluorine substitution on the edge-to-face interaction of the benzene dimerKevin E Riley, Kenneth M MerzJournal 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 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 MerzPageof 50