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Journal of Molecular Modeling|February 4, 2021
QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parametersAnna Rovaletti, Claudio Greco, Ulf RydeJournal of Chemical Theory and Computation|February 5, 2021
QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site ResiduesSonia Jafari, Ulf Ryde, Mehdi IraniJournal of Computer-Aided Molecular Design|June 25, 2011
A QM/MM study of the binding of RAPTA ligands to cathepsin BAntonella Ciancetta, Samuel Genheden, Ulf RydeFaraday Discussions|February 17, 2011
Reductive cleavage of the O-O bond in multicopper oxidases: a QM/MM and QM studyMartin Srnec, Ulf Ryde, Lubomír RulísekJournal of Computer-Aided Molecular Design|May 16, 2009
How accurate are continuum solvation models for drug-like molecules?Jacob Kongsted, Pär Söderhjelm, Ulf RydeThe Journal of Physical Chemistry. B|July 22, 2009
Calculation of protein-ligand interaction energies by a fragmentation approach combining high-level quantum chemistry with classical many-body effectsPär Söderhjelm, Francesco Aquilante, Ulf RydeJournal of Chemical Theory and Computation|November 25, 2015
On the Convergence of QM/MM EnergiesLiHong Hu, Pär Söderhjelm, Ulf RydeThe Journal of Physical Chemistry. B|June 3, 2025
Protonation State of Active-Site Histidines, Reaction Mechanism and Stereoselectivity in β-Alanine Synthase: A Computational StudyWijitra Meelua, Ulf Ryde, Jitrayut JitonnomInternational Journal of Biological Macromolecules|February 15, 2024
QM/MM study of the catalytic reaction of aphid myrosinaseSonia Jafari, Ulf Ryde, Mehdi IraniJournal of Inorganic Biochemistry|October 24, 2009
QM/MM study of the insertion of metal ion into protoporphyrin IX by ferrochelataseYaxue Wang, Yong Shen, Ulf RydePageof 56