| Compound ID | MAK-UNK-8be7dca9-10 |
| ΔG / kcal M-1 | −7.89 ± 0.08 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN86 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-10_3 |
|
1.50 ± 0.08 |
|
|
||||
| RUN66 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-10_1 |
|
3.1 ± 0.1 |
|
|
||||