conformational transition protein conformation 44 priority journal 42 article 36 nonhuman 34 Protein Conformation 32 molecular dynamics 32 unclassified drug 28 controlled study 24 Animals 20 Article 20 Molecular dynamics 20 Proteins 20 chemistry 20 binding site 18 ligand 18 Binding Sites 16 Protein Binding 16 protein structure 16 Humans 14 crystal structure 14 enzyme activity 14 metabolism 14 protein binding 14 protein secondary structure 14 Hydrogen-Ion Concentration 12 Ligands 12 Models, Molecular 12 Molecular Dynamics Simulation 12 Protein Structure, Secondary 12