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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.Journal of Chemical Theory and Computation|December 2, 2015
Proton Transfer at Metal Sites in Proteins Studied by Quantum Mechanical Free-Energy PerturbationsMarkus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.The Journal of Physical Chemistry. B|December 2, 2025
Computational Evidence for a Water-Assisted Proton-Transfer Mechanism in Uronate Isomerase from Bacillus Halodurans (Bh0493)Wijitra Jitonnom, Julianna Oláh, Ulf Ryde, et al.The Journal of Physical Chemistry. A|September 30, 2009
Do quantum mechanical energies calculated for small models of protein-active sites converge?LiHong Hu, Jenny Eliasson, Jimmy Heimdal, et al.Inorganic Chemistry|October 28, 2022
QM/MM Study of Partial Dissociation of S2B for the E2 Intermediate of NitrogenaseHao Jiang, Oskar K G Svensson, Ulf RydeJournal of Chemical Theory and Computation|December 1, 2015
Starting-Condition Dependence of Order Parameters Derived from Molecular Dynamics SimulationsSamuel Genheden, Carl Diehl, Mikael Akke, et al.Molecules (Basel, Switzerland)|January 8, 2023
Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in NitrogenaseHao Jiang, Oskar K G Svensson, Ulf RydeDalton Transactions (Cambridge, England : 2003)|March 11, 2025
Metal preference of glyoxalase II, a quantum mechanics/molecular mechanics studyJavad Shirazi, Sonia Jafari, Ulf Ryde, et al.The Journal of Physical Chemistry. A|July 13, 2006
Theoretical study of the electronic gas-phase spectrum of glycine, alanine, and related amines and carboxylic acidsAnders Osted, Jacob Kongsted, Ove ChristiansenPlos One|June 5, 2014
Inhibitor ranking through QM based chelation calculations for virtual screening of HIV-1 RNase H inhibitionVasanthanathan Poongavanam, Casper Steinmann, Jacob KongstedPageof 47