Table 2.

Calculation of binding free energies for compounds 1 and 2 using LIE methodology.

Compound	Free VdW (kcal/mol)	Free Coulomb (kcal/mol)	Complex VdW Weighted Sum (kcal/mol)	Complex Coulomb Weighted Sum (kcal/mol)	$\Delta {\mathbf{G}}_{\mathbf{L}\mathbf{I}\mathbf{E}}^{\mathbf{B}\mathbf{I}\mathbf{N}\mathbf{D}}$ (kcal/mol)
1	−16.2 ± 0.2	−32.3 ± 0.1	−22.0 ± 1.4	−37.3 ± 2.4	−8.2 ± 1.9
2	−14.7 ± 0.2	−19.0 ± 0.1	−22.5 ± 2.4	−18.7 ± 2.6	−3.5 ± 1.7