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The Journal of Chemical Physics|May 13, 2006
Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferaseThomas H Rod, Patrik Rydberg, Ulf RydeJournal of Chemical Theory and Computation|May 18, 2018
Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD SimulationsCasper Steinmann, Martin A Olsson, Ulf RydeJournal of the American Chemical Society|March 17, 2010
Quantum refinement of [FeFe] hydrogenase indicates a dithiomethylamine ligandUlf Ryde, Claudio Greco, Luca De GioiaJournal of Biomolecular NMR|March 18, 2005
NMR structure determination of proteins supplemented by quantum chemical calculations: detailed structure of the Ca2+ sites in the EGF34 fragment of protein SYa-Wen Hsiao, Torbjörn Drakenberg, Ulf RydeInternational Journal of Biological Macromolecules|March 7, 2026
QM/MM study of the catalytic reaction of potato epoxide hydrolaseMaryam Haji Dehabadi, Ulf Ryde, Mehdi IraniJournal of the American Chemical Society|July 30, 2025
Understanding Anomalous Cage-Escape Dynamics in Photoredox Processes Driven by a Fe(III) N-Heterocyclic Carbene ComplexIria Bolaño Losada, Ulf Ryde, Petter PerssonThe Journal of Physical Chemistry. A|February 7, 2024
Scalar Relativistic All-Electron and Pseudopotential <i>Ab Initio</i> Study of a Minimal Nitrogenase [Fe(SH)<sub>4</sub>H]<sup>-</sup> Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body MethodsVictor P Vysotskiy, Claudia Filippi, Ulf RydeActa Crystallographica. Section D, Structural Biology|October 6, 2020
Automated orientation of water molecules in neutron crystallographic structures of proteinsAxl Eriksson, Octav Caldararu, Ulf Ryde, et al.The Journal of Physical Chemistry. B|June 4, 2015
Catalytic Cycle of Multicopper Oxidases Studied by Combined Quantum- and Molecular-Mechanical Free-Energy Perturbation MethodsJilai Li, Maryam Farrokhnia, Lubomír Rulíšek, et al.The Journal of Chemical Physics|January 15, 2008
Accuracy of typical approximations in classical models of intermolecular polarizationPär Söderhjelm, Anders Ohrn, Ulf Ryde, et al.Pageof 24