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Table 2 Neuron density of the active site (AS) and the second binding site (BS2) of HIV-RT and ABL1, for all study combinations

From: Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis

   

Decoys

Actives

EGF

HIV-RT

AS (338.5Ã… 3)

ADvina

1.158

1.563

3.070

  

Dock

0.718

1.731

2.065

 

BS2 (957.4Ã… 3)

ADvina

1.692

1.349

0.976

  

Dock

0.298

0.315

0.251

ABL1

AS (257.1Ã… 3)

ADvina

1.081

1.851

3.940

  

Dock

1.412

3.003

6.410

 

BS2 (615.5Ã… 3)

ADvina

2.587

2.244

2.600

  

Dock

-

-

-

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BMC Bioinformatics

ISSN: 1471-2105

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