conformational transition article 96 priority journal 82 nonhuman 66 molecular dynamics 64 unclassified drug 64 controlled study 52 Animals 44 Humans 44 protein conformation 44 Article 40 chemistry 36 metabolism 36 Protein Conformation 32 human 32 Molecular dynamics 30 Protein Binding 30 Models, Molecular 28 Molecular Dynamics Simulation 28 ligand binding 28 Binding Sites 26 Proteins 26 binding affinity 26 binding site 26 enzyme activity 26 ligand 24 protein domain 24 DNA 22 Kinetics 22 Ligands 22