Table 4. Execution Times Per Compound with Active and Decoy Compounds in the DUD-E Diverse Subset (CPU core s)^a.

	execution time (CPU core s)
		AutoDock Vina		Glide
DUD-E target	REstretto	ex = 1	ex = 8	HTVS	SP
AKT1	22.95	48.12	619.87	0.46	12.04
AMPC	23.86	14.02	168.39	0.57	5.93
CP3A4	41.05	25.52	304.86	1.23	21.83
CXCR4	33.02	33.48	404.03	1.82	32.91
GCR	28.83	17.67	236.56	0.39	8.69
HIVPR	31.84	30.83	376.09	0.68	17.47
HIVRT	19.96	13.66	180.75	0.27	5.51
KIF11	34.08	23.20	276.24	0.66	13.63
average	29.04	27.30	341.89	0.63	13.84

^aThe fastest time between REstretto and AutoDock Vina for each DUD-E target is shown in bold. Note that AutoDock Vina (ex = 8) was calculated with 12 cores and the execution times of all cores were accumulated.