Table 5:

Docking accuracy of multiple protein-ligand docking programs on the Astex diverse set.

	CDOCKERd	Autodock v4.2.6	Autodock Vinae	Autodock Vinaf	DOCK v6.7
accuracy (nativea)	0.664 (± 0.022g)	0.600 (± 0.020)	0.701 (±0.019)	0.710 (± 0.009)	0.639 (± 0.016)
accuracy (randomb)	0.537 (±0.021)	0.530 (±0.029)	0.633 (±0.014)	0.623 (±0.011)
wall time (sec)c	85.5	279.6	82.3	202.9	50.0

^aLigand native conformations are used as starting conformations.

^bLigand random conformations are used as starting conformations.

^cCDOCKER is run on a GPU (NVIDIA GeForce GTX 980). All the other docking programs use one CPU (Intel Xeon Processor E5645 2.4GHz).

^d500 trials are used in CDOCKER.

^eexhaustiveness = 8.

^fexhaustiveness = 20.

^gAll uncertainties are estimated using 10 independent repeats.