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The Journal of Physical Chemistry. B|July 7, 2009
Protein NMR chemical shift calculations based on the automated fragmentation QM/MM approachXiao He, Bing Wang, Kenneth M MerzJournal of Chemical Theory and Computation|July 31, 2012
Conformational Analysis of Free and Bound Retinoic AcidZheng Fu, Xue Li, Kenneth M MerzJournal of Computational Chemistry|June 15, 2006
Quantum mechanical and molecular dynamics simulations of ureases and Zn beta-lactamasesGuillermina Estiu, Dimas Suárez, Kenneth M MerzBiochemistry|January 31, 2007
Understanding the substrate selectivity and the product regioselectivity of Orf2-catalyzed aromatic prenylationsGuanglei Cui, Xue Li, Kenneth M MerzJournal of Chemical Theory and Computation|November 22, 2015
Quantum Mechanical Study of Vicinal J Spin-Spin Coupling Constants for the Protein BackboneBing Wang, Xiao He, Kenneth M MerzThe Journal of Chemical Physics|August 14, 2008
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunctionAlessandro Genoni, Kenneth M Merz, Maurizio SironiJournal of the American Chemical Society|November 2, 2018
Simulating the Chelate EffectArkajyoti Sengupta, Anthony Seitz, Kenneth M MerzBiochemistry|April 14, 2017
Using Ligand-Induced Protein Chemical Shift Perturbations To Determine Protein-Ligand StructuresZhuoqin Yu, Pengfei Li, Kenneth M MerzScientific Reports|February 14, 2026
Benchmarking MedMNIST dataset on real quantum hardwareGurinder Singh, Hongni Jin, Kenneth M MerzBiochemistry|December 14, 2005
Computational studies of the farnesyltransferase ternary complex part I: substrate bindingGuanglei Cui, Bing Wang, Kenneth M MerzPageof 24