. Author manuscript; available in PMC: 2014 Apr 1.

Published in final edited form as: Curr Opin Struct Biol. 2013 Feb 14;23(2):191–197. doi: 10.1016/j.sbi.2013.01.009

Table 1.

Comparison of virtual screening approaches on the DUD benchmark using experimental and modeled structures

	Cross Docking		Non Cross Docking
Method	Average EF_0.01^a Experimental Structures	Average EF_0.01^a Modeled Structures	Average EF_0.01^a Experimental Structures	Average EF_0.01^a Modeled Structures
FINDSITE^X	16.89	20.05	5.92	8.24
FINDSITE^filt	22.32	21.26	11.0	11.3
FINDSITE^comb	27.69	23.10	14.1	13.3
AUTODOCK	8.92	2.17	5.45	2.48
Vina
DOCK 6	3.14	3.05	3.82	1.29

EF_0.01 is the enrichment factor relative to random for the top 1% of ranked molecules.