Quantum mechanics/molecular mechanics priority journal 6 quantum mechanics 6 unclassified drug 6 Amino acids 4 Article 4 Humans 4 Molecular dynamics 4 Molecular modeling 4 Oxygen 4 Quantum theory 4 Reaction intermediates 4 catalysis 4 human 4 molecular mechanics 4 3 nitrotyrosine 2 3-dioxygenase 2 7-hydroxycoumarin 2 Acid-base equilibria 2 Amines 2 Ammonia 2 Atomic-level resolution 2 Biocatalysis 2 Blotting, Western 2 Catalysis 2 Catalytic Domain 2 Catalytic mechanisms 2 Classical molecular dynamics 2 Electrons 2 Energy barriers 2