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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 (338.5Å 3) ADvina 1.158 1.563 3.070
   Dock 0.718 1.731 2.065
  BS2 (957.4Å 3) ADvina 1.692 1.349 0.976
   Dock 0.298 0.315 0.251
ABL1 AS (257.1Å 3) ADvina 1.081 1.851 3.940
   Dock 1.412 3.003 6.410
  BS2 (615.5Å 3) ADvina 2.587 2.244 2.600
   Dock - - -
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BMC Bioinformatics

ISSN: 1471-2105

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