ligand binding article 114 priority journal 104 nonhuman 102 unclassified drug 82 controlled study 72 Animals 68 molecular dynamics 64 Ligands 54 Humans 52 ligand 48 binding site 42 Protein Binding 40 human 40 Binding Sites 38 metabolism 38 Models, Molecular 32 Molecular dynamics 32 animal cell 32 protein binding 32 Kinetics 30 binding affinity 30 chemistry 30 conformational transition 28 Computer Simulation 26 Molecular Dynamics Simulation 26 crystal structure 26 hydrogen bond 26 protein function 26 animal 24