| Compound ID | MAK-UNK-8be7dca9-3 |
| ΔG / kcal M-1 | −8.5 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN48 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-3_2 |
|
0.9 ± 0.1 |
|
|
||||
| RUN24 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-3_4 |
|
2.3 ± 0.1 |
|
|
||||