Models, Molecular controlled study article 66 unclassified drug 49 nonhuman 47 priority journal 47 Animals 43 chemistry 31 metabolism 28 molecular dynamics 27 Humans 26 molecular model 25 chemical structure 22 protein function 22 human 20 structure activity relation 20 protein conformation 18 Protein Binding 17 animal 16 Kinetics 15 Molecular Dynamics Simulation 15 Rats 15 animal cell 15 Computer Simulation 14 Crystallography, X-Ray 14 Molecular Conformation 14 Protein Conformation 14 binding affinity 14 protein domain 14 amino acid sequence 13