Table 3. Best docking scores among the different LeuRS domains.
| Domains | rDock score (kcal/mol) | PH4 score |
|---|---|---|
| AlphaFold (CP1) | -7.77 | 0.036 |
| SWISS-MODEL (CP1) | -20.20 | 0.364 |
| AlphaFold (Active Site) | -17.0 | 0.211 |
| SWISS-MODEL (Active Site) | -24.06 | 0.245 |
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