| Compound ID | ALP-UNI-76695c4f-2 |
| ΔG / kcal M-1 | −10.5 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2164 | PET-UNK-29afea89-2_1 |
|
ALP-UNI-76695c4f-2_1 |
|
−3.8 ± 0.3 |
|
|
||||