article molecular model priority journal 46 unclassified drug 44 nonhuman 40 Animals 34 controlled study 34 Models, Molecular 22 chemical structure 22 structure analysis 18 Humans 16 Protein Binding 16 molecular dynamics 16 Molecular dynamics 14 human 14 hydrogen bond 14 molecular interaction 14 quantum mechanics 14 Ligands 12 conformation 12 structure activity relation 12 withanolide 12 Dose-Response Relationship, Drug 10 Molecular Dynamics Simulation 10 Molecular Sequence Data 10 animal cell 10 binding affinity 10 chemistry 10 enzyme active site 10 molecular mechanics 10