| Compound ID | ALF-EVA-b701bd13-3 |
| ΔG / kcal M-1 | −13.2 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3633 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-b701bd13-3_1 |
|
−6.9 ± 0.1 |
|
|
||||
| RUN3635 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-b701bd13-3_2 |
|
2.3 ± 0.3 |
|
|
||||