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International Journal of Biological Macromolecules|March 7, 2026
QM/MM study of the catalytic reaction of potato epoxide hydrolaseMaryam Haji Dehabadi, Ulf Ryde, Mehdi Irani
Journal 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 Persson
The Journal of Physical Chemistry. A|February 7, 2024
Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH)4H]- Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body MethodsVictor P Vysotskiy, Claudia Filippi, Ulf Ryde
Acta 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.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|September 22, 2009
A combined computational and experimental investigation of the [2Fe-2S] cluster in biotin synthaseMichael G G Fuchs, Franc Meyer, Ulf Ryde
The Journal of Physical Chemistry. B|September 11, 2008
QM/MM-PBSA method to estimate free energies for reactions in proteinsMarkus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.
The Journal of Chemical Physics|January 11, 2007
Performance of density functionals for first row transition metal systemsKasper P Jensen, Björn O Roos, Ulf Ryde
The Journal of Physical Chemistry. B|April 7, 2009
Reaction mechanism of manganese superoxide dismutase studied by combined quantum and molecular mechanical calculations and multiconfigurational methodsMartin Srnec, Francesco Aquilante, Ulf Ryde, et al.
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