Table 4.

Ligand-Receptor Interaction Energies.

Molecule	Total Ligand- Receptor Interaction Energy	Detailed Interaction Energy terms
Compound 11	−10.67 Kcal/mol	Ligand-Receptor Van der Waals Energy	−8.50 Kcal/mol
		Ligand-Receptor Electrostatic Energy	0.03 Kcal/mol
		Ligand-Receptor Hydrogen Bond Energy	−0.69 Kcal/mol
		Ligand-Receptor Solvation Free Energy	−1.61 Kcal/mol
		Ligand-Receptor Conformational Entropy	0.09 Kcal/mol
Compound 12	−9.86 Kcal/mol	Ligand-Receptor Van der Waals Energy	−8.49 Kcal/mol
		Ligand-Receptor Electrostatic Energy	0.08 Kcal/mol
		Ligand-Receptor Hydrogen Bond Energy	−0.32 Kcal/mol
		Ligand-Receptor Solvation Free Energy	−1.23 Kcal/mol
		Ligand-Receptor Conformational Entropy	0.09 Kcal/mol
Compound 2	−10.48 Kcal/mol	Ligand-Receptor Van der Waals Energy	−8.84 Kcal/mol
		Ligand-Receptor Electrostatic Energy	0.03 Kcal/mol
		Ligand-Receptor Hydrogen Bond Energy	−1.01 Kcal/mol
		Ligand-Receptor Solvation Free Energy	−0.76 Kcal/mol
		Ligand-Receptor Conformational Entropy	0.09 Kcal/mol
Compound 49	−8.82 Kcal/mol	Ligand-Receptor Van der Waals Energy	−7.61 Kcal/mol
		Ligand-Receptor Electrostatic Energy	−0.01 Kcal/mol
		Ligand-Receptor Hydrogen Bond Energy	−0.66 Kcal/mol
		Ligand-Receptor Solvation Free Energy	−0.63 Kcal/mol
		Ligand-Receptor Conformational Entropy	0.09 Kcal/mol