article priority journal 55 protein conformation 54 Protein Conformation 51 nonhuman 42 unclassified drug 29 Humans 28 Models, Molecular 27 Animals 24 controlled study 24 molecular dynamics 24 Protein Binding 21 Kinetics 20 Proteins 20 Molecular dynamics 19 conformational transition 17 protein structure 17 Ligands 16 protein domain 16 Binding Sites 14 Protein Structure, Tertiary 14 Thermodynamics 14 protein function 14 Protein Structure, Secondary 13 protein analysis 13 Computer Simulation 12 Molecular Dynamics Simulation 12 Protein Folding 12 human 12 binding affinity 11