molecular model 58 chemistry 52 Models, Molecular 50 Article 38 human 25 metabolism 25 Humans 24 genetics 23 controlled study 17 molecular docking 17 Computational Biology 16 Research & information: general 16 biology 16 protein conformation 16 Molecular Docking Simulation 15 nonhuman 15 Protein Conformation 14 unclassified drug 14 protein binding 13 Molecular modeling 12 amino acid sequence 12 Protein Binding 10 SARS-CoV-2 10 binding site 10 crystal structure 10 molecular dynamics 10 protein structure 10 Amino Acid Sequence 9 X ray crystallography 9 conformation 9