Table 4.
Minimum RMSD values generated by our methodology and AutoDock (rigid, flexible) with modeled structures
| Family | Model protein | Minimum RMSD generated by our methodology (Å) | Minimum RMSD generated by AutoDock rigid docking (Å) | Minimum RMSD generated by AutoDock flexible docking(Å) |
|---|---|---|---|---|
| CYP450 | 1suo_model | 0.7 | 0.85 | 1.57 |
| 2fdu_model | 2.62 | 3.97 | 2.86 | |
| 3me6_model | 1.33 | 3.19 | 2.25 | |
| 4d7d_model | 0.96 | 3.17 | 4.53 | |
| 4i8v_model | 2.64 | 2.19 | 2.5 | |
| 4oqr_model | 1.75 | 2.34 | 2.46 | |
| 4wqj_model | 1.19 | 2.69 | 2.38 | |
| 4zf8_model | 0.55 | 1.83 | 1.7 | |
| 5li8_model | 0.84 | 5.68 | 7.28 | |
| 6c94_model | 2.38 | 6.65 | 4.48 | |
| 3ua1_model | 2.25 | 2.92 | 3.24 | |
| GPCR | 4iar_model | 1.35 | 7.08 | 6.23 |
| 4nc3_model | 2.22 | 3.27 | 3.49 | |
| 4wnk_model | 1.18 | 5.4 | 3.82 | |
| 5he0_model | 0.44 | 3.1 | 1.71 | |
| Chaperone | 3fzm_model | 1.82 | 6.1 | 3.33 |
| 6f1n_model | 2.13 | 1.14 | 3.58 | |
| Bromodomain | 4a9m_model | 2.60 | 2.64 | 1.88 |
| 5lj0_model | 2.70 | 1.03 | 1.91 | |
| SARS-CoV-2 | 6wtt_model | 0.25 | 3.04 | 4.7 |