Table 1.

Overall binding free energy of NMS-P118 with PARP-1 and PARP-2 using the MM/GBSA_IE method.

	PARP-1			PARP-2			Difference
	ΔH	−TΔS	ΔG	ΔH	−TΔS	ΔG
Mean	−24.31	5.11	−19.20	−22.29	6.13	−16.16	3.04
SD	0.43	0.53	0.48	0.43	0.83	0.85
ΔGexp			−10.90			−7.90	3.00

All energy values are given in kcal/mol. SD represents the Standard Deviation.