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The Journal of Physical Chemistry. B|August 23, 2014
Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit waterPengfei Li, Lin Frank Song, Kenneth M MerzBiochemistry|September 5, 2014
Origin of product selectivity in a prenyl transfer reaction from the same intermediate: exploration of multiple FtmPT1-catalyzed prenyl transfer pathwaysLi-Li Pan, Yue Yang, Kenneth M MerzJournal of Chemical Information and Modeling|February 4, 2022
Effect of an Inhibitor on the ACE2-Receptor-Binding Domain of SARS-CoV-2Gaurav Sharma, Lin Frank Song, Kenneth M MerzJournal of Chemical Theory and Computation|January 12, 2011
A Mixed QM/MM Scoring Function to Predict Protein-Ligand Binding AffinitySeth A Hayik, Roland Dunbrack, Kenneth M MerzJournal of Chemical Theory and Computation|December 4, 2015
A Combined QM/MM Poisson-Boltzmann ApproachSeth A Hayik, Ning Liao, Kenneth M MerzJournal of Chemical Theory and Computation|February 16, 2013
The Effects of Computational Modeling Errors on the Estimation of Statistical Mechanical VariablesJohn C Faver, Wei Yang, Kenneth M MerzJournal of Medicinal Chemistry|September 18, 2007
A critical assessment of the performance of protein-ligand scoring functions based on NMR chemical shift perturbationsBing Wang, Lance M Westerhoff, Kenneth M MerzThe Journal of Physical Chemistry. A|August 21, 2009
Assessment of the "6-31+G** + LANL2DZ" mixed basis set coupled with density functional theory methods and the effective core potential: prediction of heats of formation and ionization potentials for first-row-transition-metal complexesYue Yang, Michael N Weaver, Kenneth M MerzJournal of the American Chemical Society|March 7, 2020
Thermodynamics of Transition Metal Ion Binding to ProteinsLin Frank Song, Arkajyoti Sengupta, Kenneth M MerzJournal of Chemical Theory and Computation|June 20, 2020
Pair Potentials as Machine Learning FeaturesJun Pei, Lin Frank Song, Kenneth M MerzPageof 24