title: P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations.
authors.affiliation: Institute of Chemistry and the Lise-Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University of Jerusalem, 91904 Jerusalem, Israel. sason@yfaat.ch.huji.ac.il
authors.forename: Sason
authors.initials: S
authors.lastname: Shaik
authors.forename: Shimrit
authors.initials: S
authors.lastname: Cohen
authors.forename: Yong
authors.initials: Y
authors.lastname: Wang
authors.forename: Hui
authors.initials: H
authors.lastname: Chen
authors.forename: Devesh
authors.initials: D
authors.lastname: Kumar
authors.forename: Walter
authors.initials: W
authors.lastname: Thiel
mesh_terms: D055162:Biocatalysis; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry* / Q000378:metabolism; D008958:Models, Molecular; D010084:Oxidation-Reduction; D020033:Protein Isoforms / Q000737:chemistry / Q000378:metabolism; D011522:Protons; D011789:Quantum Theory; D055672:Static Electricity
chemical_list: D020033:Protein Isoforms; D011522:Protons; D003577:Cytochrome P-450 Enzyme System