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Biochemistry|July 10, 2007
Insights into Cu(I) exchange in HAH1 using quantum mechanical and molecular simulationsBryan T Op't Holt, 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 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 MerzPageof 50