nonhuman unclassified drug molecular model 38 Animals 26 article 24 Models, Molecular 20 chemistry 20 priority journal 20 controlled study 18 metabolism 18 molecular docking 16 molecular dynamics 16 structure activity relation 16 Humans 14 Article 12 Structure-Activity Relationship 12 animal 12 chemical structure 12 drug synthesis 12 human 12 Molecular Docking Simulation 10 Molecular Dynamics Simulation 10 Molecular Structure 10 Molecular modeling 10 enzyme active site 10 Binding Sites 8 Dose-Response Relationship, Drug 8 X ray crystallography 8 animal cell 8 drug structure 8