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Table 4 Comparison of methods for the 30 protein DUD set using experimental and modeled structures

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

Method

Ave. EF0.01(expt. structure)

Ave. EF0.01(modeled structure)

Ave. EF0.1(expt. structure)

Ave. EF0.1(modeled structure)

FINDSITEcomb

14.1

13.3

4.54

4.53

AUTODOCK Vina

5.45

2.39

2.48

1.40

DOCK 6

3.82

3.05

1.29

0.87

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Journal of Cheminformatics

ISSN: 1758-2946

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