thermodynamics Thermodynamics 43 chemistry 30 Article 26 Kinetics 15 kinetics 14 nonhuman 12 controlled study 10 molecular dynamics 10 unclassified drug 10 Molecular Dynamics Simulation 9 human 9 metabolism 9 pH 9 Humans 8 Models, Molecular 8 genetics 8 molecular model 8 protein binding 8 article 7 Adsorption 6 adsorption 6 biology 6 conformation 6 physiology 6 procedures 6 protein conformation 6 Computational Biology 5 Hydrogen-Ion Concentration 5 Protein Binding 5