enzyme active site Article 17 chemistry 16 Catalytic Domain 15 metabolism 15 nonhuman 14 human 12 molecular docking 11 Humans 10 controlled study 10 amino acid sequence 9 unclassified drug 9 Molecular Docking Simulation 8 binding site 8 binding affinity 7 catalysis 7 enzyme activity 7 molecular dynamics 7 protein binding 7 Models, Molecular 6 computer model 6 drug effect 6 enzymology 6 molecular model 6 structure activity relation 6 Kinetics 5 Molecular Dynamics Simulation 5 Protein Binding 5 SARS-CoV-2 5 Severe acute respiratory syndrome coronavirus 2 5