title: Computational studies of [NiFe] and [FeFe] hydrogenases.
authors.affiliation: Department of Biophysics, Arrhenius Laboratory, Stockholm University, SE-106 91, Stockholm, Sweden. ps@physto.se
authors.forename: Per E M
authors.initials: PE
authors.lastname: Siegbahn
authors.forename: Jesse W
authors.initials: JW
authors.lastname: Tye
authors.forename: Michael B
authors.initials: MB
authors.lastname: Hall
mesh_terms: D000465:Algorithms; D001665:Binding Sites; D002248:Carbon Monoxide / Q000494:pharmacology; D002384:Catalysis; D019295:Computational Biology; D003486:Cyanides / Q000737:chemistry / Q000378:metabolism; D011211:Electric Power Supplies; D004789:Enzyme Activation; D004791:Enzyme Inhibitors / Q000494:pharmacology; D006859:Hydrogen / Q000737:chemistry / Q000378:metabolism; D006863:Hydrogen-Ion Concentration; D006864:Hydrogenase / Q000737:chemistry / Q000378:metabolism; D007506:Iron-Sulfur Proteins / Q000737:chemistry / Q000378:metabolism; D008956:Models, Chemical; D010084:Oxidation-Reduction
chemical_list: D003486:Cyanides; D004791:Enzyme Inhibitors; D007506:Iron-Sulfur Proteins; D002248:Carbon Monoxide; D006859:Hydrogen; C118830:iron hydrogenase; C043296:nickel-iron hydrogenase; D006864:Hydrogenase