Article metabolism molecular model 34 chemistry 28 priority journal 26 Models, Molecular 22 controlled study 20 nonhuman 18 unclassified drug 18 genetics 16 amino acid sequence 14 molecular docking 14 molecular dynamics 14 structure activity relation 14 Humans 10 Molecular Docking Simulation 10 Protein Conformation 10 Structure-Activity Relationship 10 enzyme activity 10 human 10 protein conformation 10 protein domain 10 protein function 10 Amino Acid Sequence 8 Molecular modeling 8 binding site 8 enzyme active site 8 enzymology 8 protein binding 8 Binding Sites 6