Table 7:

Summary Average AUC Values for T4 L99A and T4 L99A/M102Q Decoy Sets

Method	T4 L99A decoy set	T4 L99A/M102Q decoy set
Flexible CDOCKER a	81.10 ± 5.62	67.72 ± 2.61
Rigid CDOCKER a	78.96 ± 6.67	66.94 ± 3.54
Flexible CDOCKER b	63.43 ± 3.55	48.77 ± 3.29
Rigid CDOCKER b	61.44 ± 5.73	48.41 ± 4.30
AutoDock Vina c	56.71 ± 0.02	53.33 ± 0.03
AutoDock Vina d	56.70 ± 0.01	53.32 ± 0.06

^aSolvation free energy is calculated using FACTS implicit solvent model.

^bSolvation free energy is calculated using a distance dielectric constant of 3r.

^cExhaustiveness = 8.

^dExhaustiveness = 20.