ligand binding 152 article 126 priority journal 112 nonhuman 106 unclassified drug 86 Animals 76 controlled study 72 molecular dynamics 70 Ligands 66 Humans 58 ligand 50 Protein Binding 48 binding site 48 human 46 Binding Sites 44 metabolism 42 Molecular dynamics 40 Models, Molecular 38 chemistry 36 protein binding 36 Kinetics 34 Computer Simulation 32 animal cell 32 binding affinity 30 protein function 30 Molecular Dynamics Simulation 28 conformational transition 28 hydrogen bond 28 Proteins 26 crystal structure 26