Article Humans human 26 metabolism controlled study 16 molecular dynamics 14 chemistry 13 Computational Biology 9 Molecular Dynamics Simulation 9 biology 9 drug effect 8 genetics 8 human cell 8 molecular docking 8 nonhuman 8 binding affinity 7 computer model 7 physiology 7 unclassified drug 7 Models, Biological 6 binding site 6 biological model 6 computer simulation 6 in vitro study 6 mathematical model 6 Cell Line, Tumor 5 Computer Simulation 5 Molecular Docking Simulation 5 Severe acute respiratory syndrome coronavirus 2 5 female 5