| Compound ID | MAK-UNK-f203cb68-22 |
| ΔG / kcal M-1 | −3.3 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN925 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-22_2 |
|
4.4 ± 0.3 |
|
|
||||
| RUN927 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-22_1 |
|
6.5 ± 0.3 |
|
|
||||