Binding energy article 52 priority journal 42 Proteins 36 chemistry 34 Ligands 32 unclassified drug 30 Molecular dynamics 28 metabolism 28 Binding sites 26 Models, Molecular 26 Protein Binding 26 Animals 24 Humans 24 human 24 nonhuman 24 molecular dynamics 22 binding site 20 controlled study 20 Biochemistry 18 Thermodynamics 18 Amino acids 16 Kinetics 16 Protein Conformation 16 Protein Structure, Tertiary 16 protein binding 16 Binding Sites 14 Ionization 14 Molecular Dynamics Simulation 14 binding affinity 14