Thermodynamics article 164 thermodynamics 142 priority journal 100 chemistry 99 Kinetics 85 molecular dynamics 85 Models, Molecular 76 Molecular dynamics 72 nonhuman 65 Molecular Dynamics Simulation 55 kinetics 52 unclassified drug 47 Humans 44 Ligands 40 Proteins 40 metabolism 40 Protein Binding 39 Water 39 water 37 Computer Simulation 36 chemical structure 36 Animals 33 human 32 Free energy 29 Hydrogen-Ion Concentration 28 Protein Structure, Tertiary 28 Quantum theory 28 computer simulation 28 ligand 28