Table 3.

Binding energy of the different complexes; Top1 = bounded top 1 compound and Ggp, Top2 = bounded top 2 compound and Ggp, Top1-combine = docked complex of Top 1 compound and Ggp attached to the human receptor, Top2-combine = docked complex of top 2 compound and Ggp attached to the human receptor.

Components	Top1-Combine	Top1	Top2-Combine	Top2
	Energies (kcal/mol)
∆Evdw	−46.7359	−19.2174	−44.2806	−35.5087
∆Eele	−157.7020	−1.0961	−60.6010	−26.9743
∆EGB	174.3174	13.9830	73.1834	44.9049
∆Esurf	−6.0934	−2.4602	−5.6009	−4.8286
∆Ggas	−204.4379	−20.3134	−104.8816	−62.4830
∆Gsolv/GB	168.2240	11.5228	67.5825	40.0763
∆tot/GB	−36.2139	−8.7906	−37.2991	−22.4067
∆EPB	178.3334	12.0337	80.8110	53.6368
∆Gnpol	−4.5831	−2.7127	−4.6730	−4.0441
∆Gsolv/PB	173.7503	9.3210	76.1380	49.5926
∆tot/PB	−30.6876	−10.9925	−28.7436	−12.8904
∆tot/PB	−30.6876	−10.9925	−28.7436	−12.8904