| Compound ID | MAK-UNK-f203cb68-22 |
| ΔG / kcal M-1 | −4.5 ± 0.7 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN126 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-22_2 |
|
3.0 ± 0.7 |
|
|
||||
| RUN128 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-22_1 |
|
9.7 ± 0.4 |
|
|
||||