Table 2 Results for the selective test cases
Ligand | Number of Atoms | Average FEB (kcal/mol) | Total Results FEB (-) | Total Results FEB (+) | Total Results Not Docked | Average RMSD (Å) | Computer Architecture | CPU Time (hs) |
|---|---|---|---|---|---|---|---|---|
PIF | 28 | -9.9 ± 0.5 | 1,000 | 0 | 0 | 4.8 ± 1.4 | - | - |
TCL | 24 | -8.8 ± 0.3 | 1,000 | 0 | 0 | 6.7 ± 1.7 | - | - |
ETH | 21 | -6.7 ± 0.3 | 984 | 0 | 16 | 5.2 ± 2.4 | PC2 | 80 |