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Journal 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 GrimmeThe 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 RydePageof 56