Presentation topic
QM/MM studies of the reaction mechanism of nitrogenase
Research Focus
Ulf Ryde studies the structure and function of proteins, in particular metalloproteins, such as nitrogenase, particulate methane monooxygenase, lytic polysaccharide monooxygenase, superoxide dismutases and hydrogenases. He has developed combined quantum mechanical and molecular mechanical (QM/MM) methods for an accurate treatment of environmental effects, and combinations of QM/MM with experimental approaches, such as X-ray and neutron crystallography, and cryogenic electron microscopy. He also studies and develops methods to calculate ligand-binding affinities, in particular free-energy perturbation.
