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Journal of Computational Chemistry|June 15, 2006
Quantum mechanical and molecular dynamics simulations of ureases and Zn beta-lactamasesGuillermina Estiu, Dimas Suárez, Kenneth M Merz
Journal 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 Merz
The 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 Sironi
Journal of the American Chemical Society|November 2, 2018
Simulating the Chelate EffectArkajyoti Sengupta, Anthony Seitz, Kenneth M Merz
Biochemistry|April 14, 2017
Using Ligand-Induced Protein Chemical Shift Perturbations To Determine Protein-Ligand StructuresZhuoqin Yu, Pengfei Li, Kenneth M Merz
Scientific Reports|February 14, 2026
Benchmarking MedMNIST dataset on real quantum hardwareGurinder Singh, Hongni Jin, Kenneth M Merz
Biochemistry|December 14, 2005
Computational studies of the farnesyltransferase ternary complex part I: substrate bindingGuanglei Cui, Bing Wang, Kenneth M Merz
Journal of Computational Chemistry|October 24, 2002
Molecular dynamics simulations of the dinuclear zinc-beta-lactamase from Bacteroides fragilis complexed with imipenemDimas Suárez, Natalia Díaz, Kenneth M Merz
Methods in Enzymology|September 4, 2023
Getting zinc into and out of cellsGaurav Sharma, Majid Jafari, Kenneth M Merz
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