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Table 2 Examples to illustrate particular results with 2 and 4 programs

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

Protein Number of hits found in n test tested molecules
Gold Glide Surflex FlexX vSDCgg vSDCsf vSDCggsf USC
Ampc (β-lactamase) 1 1 0 0 2 2 4 0
Thb (thyroid hormone receptor β1) 15 14 7 6 16 16 20 10
Cp3a4 (cytochrome P450 3A4) 2 1 2 2 3 2 2 2
Thrb (thrombin) 16 28 17 25 22 43 33 25
Try1 (trypsin I) 26 28 28 37 32 49 45 36
  1. The proteins are named according to their abbreviations given in the DUD-E and their function in brackets. All examples are based on n test  = 50, therefore, for USC the results were the average between n test  = 48 and n test  = 52