| Compound ID | ALP-POS-3b848b35-4 |
| ΔG / kcal M-1 | −8.2 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN47 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-3b848b35-4_2 |
|
−0.1 ± 0.3 |
|
|
||||