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Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|December 6, 2017
Insight into the reaction mechanism of lipoyl synthase: a QM/MM studyGeng Dong, Lili Cao, Ulf RydeJournal of Chemical Theory and Computation|February 28, 2019
Host-Guest Relative Binding Affinities at Density-Functional Theory Level from Semiempirical Molecular Dynamics SimulationsMeiting Wang, Ye Mei, Ulf RydeChemical Science|June 14, 2024
Convergence criteria for single-step free-energy calculations: the relation between the Π bias measure and the sample varianceMeiting Wang, Ye Mei, Ulf RydeJournal of Computational Chemistry|March 23, 2002
Restrained point-charge models for disaccharidesEmma Sigfridsson, Ulf Ryde, Bruce L BushJournal of Inorganic Biochemistry|March 12, 2008
Effect of covalent links on the structure, spectra, and redox properties of myeloperoxidase--a density functional studyAjitha Devarajan, Alexander V Gaenko, Ulf RydeInorganic Chemistry|August 3, 2005
A combined quantum and molecular mechanical study of the O2 reductive cleavage in the catalytic cycle of multicopper oxidasesLubomír Rulísek, Edward I Solomon, Ulf RydeAngewandte Chemie (International Ed. in English)|April 14, 2015
Multiscale modeling of the active site of [Fe] hydrogenase: the H₂ binding site in open and closed protein conformationsErik Donovan Hedegård, Jacob Kongsted, Ulf RydeInorganic Chemistry|February 20, 2025
Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical CalculationsMaryam Haji Dehabadi, Mehdi Irani, Ulf RydeJournal of Computational Chemistry|April 28, 2016
Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical levelMartin A Olsson, Pär Söderhjelm, Ulf RydeDalton Transactions (Cambridge, England : 2003)|August 20, 2011
Does DFT-D estimate accurate energies for the binding of ligands to metal complexes?Ulf Ryde, Ricardo A Mata, Stefan GrimmePageof 24