| Compound ID | ALP-POS-2da19ca7-5 |
| ΔG / kcal M-1 | −10.0 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2379 | PET-UNK-29afea89-2_1 |
|
ALP-POS-2da19ca7-5_1 |
|
−3.2 ± 0.4 |
|
|
||||