Thermodynamics thermodynamics 14 chemistry 9 Article 8 Molecular Dynamics Simulation 5 molecular dynamics 5 Models, Molecular 4 Protein Conformation 4 metabolism 4 molecular model 4 protein binding 4 protein conformation 4 Catalytic Domain 3 Humans 3 Protein Binding 3 chemical phenomena 3 enzyme active site 3 human 3 hydrophobicity 3 spectroscopy 3 unclassified drug 3 Adsorption 2 Amylose 2 Chinese yam starches 2 Computational Biology 2 Crystal structure 2 Dioscorea 2 FTIR 2 Hydrophobic and Hydrophilic Interactions 2 Ions 2