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Table 1 Rank of the active molecules common to the four programs

From: vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available

Ligand

Glide

Surflex

FlexX

Gold

Cn (ligand 1)

116

1

47

206

Cn (ligand 2)

10

3

68

77

Cn (ligand 3)

13

167

453

197

Hbp (ligand 1)

14

265

3

368

Cdk2 (ligand 1)

31

2

5

6

Cdk2 (ligand 2)

61

97

22

7

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Journal of Cheminformatics

ISSN: 1758-2946

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