TY - GEN AU - Petrović,Dušan AU - Bokel,Ansgar AU - Allan,Matthew AU - Urlacher,Vlada B AU - Strodel,Birgit TI - Simulation-Guided Design of Cytochrome P450 for Chemo- and Regioselective Macrocyclic Oxidation SN - 1549-960X PY - 2019///0422 KW - Catalytic Domain KW - Cytochrome P-450 Enzyme System KW - chemistry KW - Macrocyclic Compounds KW - Molecular Docking Simulation KW - Molecular Dynamics Simulation KW - Mutagenesis KW - Mutation KW - Oxidation-Reduction KW - Protein Engineering KW - Stereoisomerism KW - Substrate Specificity KW - Thermodynamics N1 - Publication Type: Journal Article; Research Support, Non-U.S. Gov't UR - https://doi.org/10.1021/acs.jcim.8b00043 ER -