Table 2. Redocking Results of AC, GOLD, and AutoDock Vina for Complete PDBbind Core Set (For Abbreviations, See Table 1).

parameters	Best	Cl1	Cl1–5	All	CPU [min]
Attracting Cavities
180°, 4 RIC	58.6	60.4	68.8	74.0	9.2
90°, 1 RIC	63.2	65.3	77.2	83.5	12.8
90°, 2 RIC	68.1	69.8	79.6	85.3	26.7
90°, 4 RIC	69.1	70.9	82.8	88.8	51.3
90°, 8 RIC	71.9	73.0	83.9	90.2	97.2
60°, 4 RIC	72.6	73.7	86.7	93.3	214.8
45°, 4 RIC	73.3	76.1	87.0	92.6	381.9
90°, 4 RIC, blind	67.0	68.4	79.6	86.3	272.0
90°, 4 RIC, native	78.2	80.0	88.1	93.0	49.8
GOLD
ChemScore	57.2	63.9	79.6	83.9	1.6
GoldScore	62.8	68.1	83.5	85.6	9.3
PLP, 10 GA	61.1	63.9	74.0	74.0	0.2
PLP	62.1	68.8	85.6	88.1	1.3
PLP, 1000 GA	63.9	69.8	85.6	90.9	7.3
PLP, native	72.3	76.5	88.8	90.5	1.3
AutoDock Vina
Exh. 8	56.8	58.6	77.9	86.3	0.9
Exh. 16	58.2	59.6	80.7	88.4	2.0
Exh. 32	56.8	58.9	79.3	90.5	3.9
Exh. 100, Rep 1	57.5	61.4	81.1	93.0	11.4
Exh. 100, Rep 2	57.9	61.1	81.4	91.9	11.4
Exh. 100 v1.1.2	57.2	57.9	79.3	83.5	21.1
Exh. 1000	58.0	61.8	83.0	91.5	79.6
Exh. 100, native	70.2	74.4	94.4	98.6	11.0