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Table 3 Cavity analysis of binding sites and decoy sites for all targets using KVFinder [15]

From: Evaluation of a novel virtual screening strategy using receptor decoy binding sites

  Binding site Cavities Decoy site cavities
Receptor Number Total Volume (Å3) Total Area (Å2) Number Total Volume (Å3) Total Area (Å2)
Comt 1 29.8 45.7 1 12.3 20.3
AchE 3 249.3 333.8 2 85.5 124.9
CDK2 4 134.0 178.3 1 10.6 15.8
HIVrt 5 92.1 138.7 1 241.3 240.1
Pparg 2 394.4 414.8 1 8.6 14.4
FGFR1 2 49.0 70.2 1 21.0 30.6
InhA 2 1119.7 834.8 1 6.0 10.1
PR 2 21.4 35.0 1 18.1 28.4
RXRa 1 57.5 72.0 1 21.0 30.2
Vegfr2 5 129.3 193.0 4 117.4 168.0
MR 2 54.4 78.1 1 23.5 35.6
Hsp90 4 166.8 233.7 2 30.0 46.1
ampC 3 100.8 121.3 1 5.8 9.7
trypsin 1 9.7 14.8 3 79.9 121.8
Parp 1 538.3 482.4 1 9.9 16.6