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