| Compound ID | MAK-UNK-f203cb68-4 |
| ΔG / kcal M-1 | −8.0 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN122 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-4_1 |
|
1.0 ± 0.6 |
|
|
||||
| RUN113 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-4_2 |
|
1.6 ± 0.5 |
|
|
||||