Receptor-specific scoring functions derived from quantum chemical models improve affinity estimates for in-silico drug discovery

Chemistry

• Ligand 100%
• Binding Energy 80%
• Estrogen 40%
• Retinoic Acid 40%
• R 40%
• Simulation 40%
• Correlation 40%
• Electron Affinity 40%
• Drug Discovery 40%
• Protein 20%
• Atom 20%
• Flexibility 20%

Biochemistry, Genetics and Molecular Biology

• Binding Energy 80%
• Estrogen Receptor 40%
• Computer Model 40%
• Retinoic Acid Receptor 40%
• Adaptation 20%
• Atom 20%
• Protein 20%