Article controlled study 127 human 127 nonhuman 114 Humans 109 chemistry 103 metabolism 101 genetics 87 unclassified drug 66 Animals 47 Computational Biology 47 animal 47 biology 47 molecular dynamics 41 procedures 40 drug effect 38 male 35 computer model 33 molecular docking 33 protein expression 32 female 30 human cell 30 mouse 29 molecular model 28 prediction 28 protein binding 28 binding affinity 27 gene expression 27 Models, Molecular 26 Molecular Dynamics Simulation 26