| Compound ID | MAK-UNK-f203cb68-3 |
| ΔG / kcal M-1 | −7.6 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN135 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-3_2 |
|
1.4 ± 0.6 |
|
|
||||
| RUN152 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-3_1 |
|
2.2 ± 0.4 |
|
|
||||