Table 2.
Strain energy (SE), steric overlap (SO) and pharmacophoric similarity (PhS) values for GALAHAD models with all five ligands with contribution to the consensus feature.
| Model | FEATS | SE | SO | PhS |
|---|---|---|---|---|
| M_01 | 9 | 1.93 | 642.6 | 199.1 |
| M_02 | 8 | 1.65 | 641.6 | 191.5 |
| M_03 | 8 | 3.62 | 671.7 | 191.5 |
| M_04 | 9 | 4.39 | 684 | 191.5 |
| M_05 | 8 | 4.19 | 710.3 | 193.1 |
| M_06 | 8 | 4.62 | 671 | 192.3 |
| M_09 | 8 | 1.37 | 310.4 | 124.1 |
| M_10 | 8 | 1.61 | 327.4 | 120.7 |
| M_13 | 7 | 1.14 | 280.9 | 119.2 |
| M_17 | 7 | 0.64 | 160.7 | 102.7 |
| Min a | 0.64 | 160.7 | 102.7 | |
| Max b | 4.62 | 710.3 | 199.1 | |
a Minimum and b maximum values between all the obtained 17 models.