Table 4. Energetic Analysis of the Receptor–Ligand Complexes Using the MM-(GB) PBSA Solvation Models.

energya	Axl-warfarinb	Axl-warfarinc	Axl-2′b	Axl-2′c
ΔEvdW	–10.35 ± 1.51	–10.35 ± 1.51	–45.12 ± 2.52	–45.12 ± 2.52
ΔEEL	–1.38 ± 1.64	–1.38 ± 1.64	–481.36 ± 12.65	–481.36 ± 12.65
ΔEGB	6.59 ± 1.86		503.17 ± 11.48
ΔESURF	–1.69 ± 0.21		–5.38 ± 0.18
ΔEPB		5.22 ± 1.51		495.87 ± 11.49
ΔENPOLAR		–9.72 ± 1.11		–29.45 ± 0.97
ΔEDISPER		15.52 ± 1.14		54.45 ± 1.15
ΔGgas	–11.72 ± 2.4	–11.72 ± 2.4	–526.49 ± 12.78	–526.49 ± 12.78
ΔGsolv	4.89 ± 1.77	11.02 ± 1.68	497.78 ± 11.41	520.87 ± 11.25
ΔGbind	–6.83 ± 1.25	–0.71 ± 1.55	–28.78 ± 3.46	–5.61 ± 3.69

^akcal mol^–1.

^bMM-GBSA.

^cMM-PBSA.