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Current Opinion in Structural Biology|August 15, 2021
Combining crystallography with quantum mechanicsJustin Bergmann, Esko Oksanen, Ulf RydeJournal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|January 17, 2004
On the role of the axial ligand in heme proteins: a theoretical studyPatrik Rydberg, Emma Sigfridsson, Ulf RydeJournal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|March 13, 2021
Critical evaluation of a crystal structure of nitrogenase with bound N2 ligandsJustin Bergmann, Esko Oksanen, Ulf RydeJournal of Chemical Theory and Computation|November 19, 2015
Conformational Entropies and Order Parameters: Convergence, Reproducibility, and TransferabilitySamuel Genheden, Mikael Akke, Ulf RydeJournal of Chemical Theory and Computation|November 22, 2015
Accurate Reaction Energies in Proteins Obtained by Combining QM/MM and Large QM CalculationsLiHong Hu, Pär Söderhjelm, Ulf RydeJournal of Chemical Theory and Computation|November 24, 2015
Effect of Geometry Optimizations on QM-Cluster and QM/MM Studies of Reaction Energies in ProteinsSophie Sumner, Pär Söderhjelm, Ulf RydeJournal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|May 30, 2009
Which functional groups of the molybdopterin ligand should be considered when modeling the active sites of the molybdenum and tungsten cofactors? A density functional theory studyUlf Ryde, Carola Schulzke, Kerstin StarkeJournal 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 RydePageof 56