quantum mechanics 7 Models, Molecular 5 article 5 Kinetics 4 molecular dynamics 4 molecular mechanics 4 unclassified drug 4 Quantum Theory 3 Thermodynamics 3 computer simulation 3 enzyme active site 3 nonhuman 3 Animals 2 Binding Sites 2 Chorismate Mutase 2 Chorismic Acid 2 Computer Simulation 2 Computer simulation 2 Cyclohexanecarboxylic Acids 2 Cyclohexenes 2 Hemoglobin 2 Humans 2 Ligands 2 Molecular Dynamics Simulation 2 Molecular dynamics 2 Mycobacterium tuberculosis 2 Nitrates 2 Nitric Oxide 2 Nitric oxide 2 Oxygen 2