controlled study molecular model 60 priority journal 38 unclassified drug 38 article 36 chemistry 30 metabolism 30 nonhuman 30 Animals 26 Models, Molecular 26 Article 24 Humans 22 human 20 molecular dynamics 18 Protein Binding 16 protein domain 16 structure activity relation 16 Proteins 14 animal 14 animal cell 14 human cell 14 molecular docking 14 protein binding 14 protein function 14 Ligands 12 Molecular Dynamics Simulation 12 Molecular modeling 12 conformational transition 12 genetics 12 protein conformation 12