| Compound ID | ALP-POS-2da19ca7-1 |
| ΔG / kcal M-1 | −9.8 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2382 | PET-UNK-29afea89-2_1 |
|
ALP-POS-2da19ca7-1_1 |
|
−3.1 ± 0.2 |
|
|
||||