| Compound ID | ALF-EVA-b701bd13-1 |
| ΔG / kcal M-1 | −12.8 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3631 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-b701bd13-1_2 |
|
−6.5 ± 0.1 |
|
|
||||
| RUN3630 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-b701bd13-1_1 |
|
3.5 ± 0.1 |
|
|
||||