| Compound ID | ALP-POS-95b75b4d-6 |
| ΔG / kcal M-1 | −8.6 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN39 | ADA-UCB-6c2cb422-1_1 |
|
ALP-POS-95b75b4d-6_1 |
|
−1.2 ± 0.1 |
|
|
||||