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Journal of Chemical Theory and Computation|October 18, 2016
Does the DFT Self-Interaction Error Affect Energies Calculated in Proteins with Large QM Systems?Adam Fouda, Ulf RydeInorganic Chemistry|August 14, 2024
Reaction Mechanism for CO Reduction by Mo-Nitrogenase Studied by QM/MMHao Jiang, Ulf RydeDalton Transactions (Cambridge, England : 2003)|June 20, 2023
N2 binding to the E0-E4 states of nitrogenaseHao Jiang, Ulf RydeChemical Reviews|April 15, 2016
Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical MethodsUlf Ryde, Pär SöderhjelmJournal of the American Chemical Society|November 20, 2003
Quantum chemistry can locally improve protein crystal structuresUlf Ryde, Kristina NilssonChemistry (Weinheim an Der Bergstrasse, Germany)|January 22, 2005
Reaction mechanism of porphyrin metallation studied by theoretical methodsYong Shen, Ulf RydeJournal of Computational Chemistry|September 6, 2008
Conformational dependence of charges in protein simulationsPär Söderhjelm, Ulf RydeInorganic Chemistry|November 6, 2014
Comparison of the active-site design of molybdenum oxo-transfer enzymes by quantum mechanical calculationsJilai Li, Ulf RydeInorganic Chemistry|November 2, 2016
O2 Activation in Salicylate 1,2-Dioxygenase: A QM/MM Study Reveals the Role of His162Geng Dong, Ulf RydeJournal of Inorganic Biochemistry|April 2, 2017
Effect of the protein ligand in DMSO reductase studied by computational methodsGeng Dong, Ulf RydePageof 56