thermodynamics Thermodynamics 19 chemistry 14 Article 13 Kinetics 7 Models, Molecular 5 Molecular Dynamics Simulation 5 kinetics 5 metabolism 5 molecular dynamics 5 pH 5 Adsorption 4 Protein Conformation 4 adsorption 4 chemical structure 4 lignin 4 molecular model 4 nonhuman 4 protein binding 4 protein conformation 4 unclassified drug 4 Catalytic Domain 3 Catechols 3 Fourier transform infrared spectroscopy 3 Humans 3 Hydrogen-Ion Concentration 3 Methylene Blue 3 Protein Binding 3 Water 3 Water Pollutants, Chemical 3