TABLE 3.

The binding free energies and the individual energy components (kcal/mol).

Method	Protein	ΔGvdw	ΔGeel	ΔGegb	ΔGesurf	ΔGbind
MM/GBSA	mTOR	–46.8639	–32.7011	49.8815	–5.4013	–35.0848
	SRC	–39.6997	–9.8351	24.1755	–4.5919	–29.9511
	ABL1	–27.3466	–26.5245	32.1618	–3.3804	–25.0897
	TLR2	–29.9988	–11.8640	27.1291	–4.2873	–19.0210