Table 3.

Binding free energies for complexes calculated by the MM/GBSA method.

Items	AptaC2—FXYD3	AptaO1—TSPAN15	AptaO2—TSPAN15
ΔEvdw	−75.93 ± 0.31	−80.99 ± 0.53	−80.46 ± 0.41
ΔEele	1579.04 ± 6.56	1627.33 ± 11.74	1498.08 ± 7.76
ΔGegb	−1510.61 ± 6.32	−1563.69 ± 11.16	−1422.75 ± 7.51
ΔGesurf	−8.36 ± 0.03	−10.03 ± 0.06	−10.13 ± 0.04
ΔGele+egb a	68.43 ± 6.44	63.64 ± 11.45	75.33 ± 7.63
ΔGbind b	−15.86 ± 0.39	−27.39 ± 0.50	−15.27 ± 0.48

ll mean and standard error values are given in kcal/mol. ^a ΔG_ele+egb = ΔE_ele + ΔG_egb. ^b ΔG = ΔE_vdw + ΔE_ele + ΔG_esurf + ΔG_egb.