| Compound ID | ALF-EVA-ced740bd-2 |
| ΔG / kcal M-1 | −11.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2791 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-ced740bd-2_1 |
|
−5.4 ± 0.2 |
|
|
||||
| RUN2794 | PET-UNK-29afea89-2_1 |
|
ALF-EVA-ced740bd-2_2 |
|
1.2 ± 0.3 |
|
|
||||