chemistry 71 Article 66 human 53 controlled study 46 protein conformation 45 Humans 43 conformation 42 metabolism 37 Protein Conformation 35 molecular model 27 nonhuman 27 Models, Molecular 25 genetics 25 molecular dynamics 23 article 22 conformational transition 21 Molecular Conformation 20 Molecular Dynamics Simulation 20 binding site 19 unclassified drug 18 female 17 protein binding 17 Animals 16 Computational Biology 16 Protein Binding 16 Proteins 16 adult 16 biology 16 molecular docking 16 protein structure 16