Models, Molecular article 250 chemical structure 182 chemistry 182 priority journal 114 nonhuman 106 unclassified drug 102 Animals 78 Crystallography, X-Ray 78 Humans 76 metabolism 74 X ray crystallography 68 controlled study 66 molecular dynamics 64 Thermodynamics 56 hydrogen bond 56 Computer Simulation 54 Ligands 54 molecular model 54 protein conformation 52 Proteins 50 Protein Conformation 48 human 48 ligand 48 Molecular dynamics 46 Protein Binding 46 computer simulation 46 Molecular Sequence Data 44 Protein Structure, Tertiary 44 conformation 44