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Journal of Chemical Theory and Computation|November 27, 2015
Conformational Dependence of Isotropic PolarizabilitiesPär Söderhjelm, Jacob Kongsted, Ulf RydeInorganic Chemistry|December 14, 2020
Two-Substrate Glyoxalase I Mechanism: A Quantum Mechanics/Molecular Mechanics StudySonia Jafari, Ulf Ryde, Mehdi IraniJournal of Chemical Information and Modeling|January 31, 2025
Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy SimulationsMeiting Wang, Hao Jiang, Ulf RydeScientific Reports|July 4, 2023
Two local minima for structures of [4Fe-4S] clusters obtained with density functional theory methodsSonia Jafari, Ulf Ryde, Mehdi IraniJournal of Computational Chemistry|August 18, 2015
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM modelSamuel Genheden, Ulf Ryde, Pär SöderhjelmJournal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|August 29, 2020
Does the crystal structure of vanadium nitrogenase contain a reaction intermediate? Evidence from quantum refinementLili Cao, Octav Caldararu, Ulf RydeThe Journal of Chemical Physics|July 11, 2006
Comparison of overlap-based models for approximating the exchange-repulsion energyPär Söderhjelm, Gunnar Karlström, Ulf RydeJournal of Chemical Information and Modeling|March 23, 2011
Binding affinities of factor Xa inhibitors estimated by thermodynamic integration and MM/GBSASamuel Genheden, Ingemar Nilsson, Ulf RydeJournal of Chemical Theory and Computation|December 4, 2015
Sulfoxide, Sulfur, and Nitrogen Oxidation and Dealkylation by Cytochrome P450Patrik Rydberg, Ulf Ryde, Lars OlsenJournal of Chemical Theory and Computation|December 1, 2015
Ligand Affinities Estimated by Quantum Chemical CalculationsPär Söderhjelm, Jacob Kongsted, Ulf RydePageof 24