TY - GEN AU - Borowski,Tomasz AU - Quesne,Matthew AU - Szaleniec,Maciej TI - QM and QM/MM Methods Compared: Case Studies on Reaction Mechanisms of Metalloenzymes SN - 1876-1623 PY - 2016///0721 KW - 4-Hydroxyphenylpyruvate Dioxygenase KW - chemistry KW - AlkB Homolog 4, Lysine Demethylase KW - Bacteria KW - Bacterial Proteins KW - Biocatalysis KW - Cytochrome P-450 Enzyme System KW - Dioxygenases KW - Humans KW - Hydroxylation KW - Kinetics KW - Molecular Dynamics Simulation KW - Oxidoreductases KW - Quantum Theory KW - Stereoisomerism KW - Substrate Specificity KW - Thermodynamics N1 - Publication Type: Comparative Study; Journal Article; Research Support, Non-U.S. Gov't; Review UR - https://doi.org/10.1016/bs.apcsb.2015.06.005 ER -