| Compound ID | ALP-POS-3b848b35-3 |
| ΔG / kcal M-1 | −9.6 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN980 | ADA-UCB-6c2cb422-1_1 |
|
ALP-POS-3b848b35-3_1 |
|
0.8 ± 0.2 |
|
|
||||