Table 9.

Energetic analysis of the receptor–ligand complexes using the MM-GBSA implicit solvation model.

Term (kcal/mol)	Axl–ATP	Axl–R428	Axl–R428_1	Axl–comp_R5
ΔEvdW	−42.49	−80.51	−91.99	−98.84
ΔEEL	127.21	−2.59	−3.28	−11.55
ΔEGB	−83.39	18.86	18.62	34.89
ΔESURF	−5.66	−7.14	−7.74	−8.43
ΔGgas	84.72	−83.09	−95.28	−110.39
ΔGsolv	−89.05	11.72	10.88	26.47
ΔGbind	−4.33	−71.38	−84.39	−83.93