Empirical entropie contributions in computational docking: Evaluation in APS reductase complexes

Keyphrases

• Computational Docking 100%
• APS Reductase 100%
• Cluster Size 100%
• Docking Experiments 100%
• Docking Evaluation 100%
• Performance Improvement 50%
• Nucleoside Analogues 50%
• Energy Landscape 50%
• Local Energy 50%
• Randomly Sampling 50%
• Single Docking 50%
• Vibrational Contributions 50%
• Binding Entropy 50%
• Vibrational Entropy 50%
• Ligand-protein Complex 50%

Biochemistry, Genetics and Molecular Biology

• Oxidoreductase 100%
• Reductase 100%
• Conformation 100%
• Enzyme 20%
• Energy Transfer 20%
• Protein Complexes 20%
• Energy Landscape 20%