Table 4 Illustrates re-docking results against wild type DHFR
| Â | Best Score (kJ/mol) | RMSD for best solution (Ã…) | Rank for Best RMSD solution | Score for best RMSD Solution | Best RMSD (Ã…) |
|---|---|---|---|---|---|
WT_WR9_10 | -30.75 | 2.49 | 57 | -21.98 | 0.91 |
WT_WR9_20 | -21.98 | 1.41 | 46 | -13.78 | 0.91 |
WT_WR9_30 | -20.83 | 2.69 | 2 | -19.67 | 0.99 |
WT_WR9_100 | -25.69 | 1.76 | 4 | -22.47 | 0.83 |
WT_CYC_10 | -24.36 | 1.43 | 622 | -19.60 | 0.89 |
WT_CYC_20 | -24.47 | 1.46 | 720 | -19.88 | 0.95 |
WT_CYC_30 | -24.47 | 1.46 | 7 | -22.16 | 0.95 |
WT_CYC_100 | -24.70 | 1.49 | 11 | -31.49 | 0.97 |
WT_PYR_10 | -29.72 | 1.25 | 6 | -28.02 | 0.46 |
WT_PYR_20 | -29.73 | 1.26 | 2 | -27.70 | 0.53 |
WT_PYR_30 | -29.73 | 1.26 | 2 | -27.70 | 0.53 |
WT_PYR_100 | -30.49 | 1.28 | 3 | -30.31 | 0.49 |