ligand binding 67 article 54 priority journal 51 nonhuman 46 unclassified drug 36 Animals 32 controlled study 30 Ligands 29 molecular dynamics 29 Humans 26 ligand 23 human 21 Molecular dynamics 20 binding site 20 Binding Sites 19 Protein Binding 19 metabolism 19 Models, Molecular 18 chemistry 16 Computer Simulation 15 Kinetics 15 protein binding 15 animal cell 14 Molecular Dynamics Simulation 13 Proteins 13 hydrogen bond 13 Thermodynamics 12 crystal structure 12 protein conformation 12 protein function 12