controlled study molecular model priority journal 38 unclassified drug 36 article 34 chemistry 28 metabolism 28 nonhuman 28 Models, Molecular 26 Animals 24 Article 24 Humans 20 human 18 molecular dynamics 18 Protein Binding 16 protein domain 16 Proteins 14 animal cell 14 protein binding 14 protein function 14 structure activity relation 14 Ligands 12 Molecular Dynamics Simulation 12 animal 12 conformational transition 12 genetics 12 human cell 12 molecular docking 12 protein conformation 12 Dose-Response Relationship, Drug 10