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Table 3 Performance of methods on the 40 protein DUD set using experimental structures

From: Experimental validation of FINDSITEcomb virtual ligand screening results for eight proteins yields novel nanomolar and micromolar binders

Method

Average EF0.01

Average EF0.05

Average EF0.1

Average AUAC

FINDSITEcomb

13.4

6.56

4.37

0.774

AUTODOCK Vina

4.80

3.01

2.40

0.586

 

(5.3×10-4)a

(9.4×10-4)

(7.7×10-4)

(3.0×10-7)

DOCK 6

3.72

1.79

1.24

0.426

 

(1.5×10-4)

(1.8×10-5)

(9.9×10-7)

(1.3×10-12)

  1. aNumbers in parentheses are two-sided p-values of Student-t test between FINDSITEcomb and docking methods.
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Journal of Cheminformatics

ISSN: 1758-2946

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