Table 3.

Comparison of ABFE’s $\left(-\Delta {\text{G}}_{\text{bind}}^{\circ }\right)$ and the electrostatic $\left(-\Delta {\text{G}}_{\text{elec}}\right)$ and Lennard-Jones $\left(-\Delta {\text{G}}_{\text{LJ}}\right)$ components of the transfer free energy of SR-3029 and SR-4133 to CK1δ

	SR-3029	SR-4133	difference
$-\Delta {\text{G}}_{\text{bind}}^{\circ }$	14.97a (1.08)b	11.15 (1.71)	3.82
−ΔGelec	2.23 (0.38)	−0.07 (0.51)	2.30
−ΔGLJ	26.47 (0.58)	26.18 (1.18)	0.29

^aComputed with the SDR method and integrated with the Thermodynamic Integration and the Gaussian Quadrature (TI-GQ) approach

^bEstimated standard errors of the mean are given in parentheses.