| Compound ID | MAK-UNK-f203cb68-20 |
| 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 | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN125 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-20_2 |
|
0.9 ± 0.5 |
|
|
||||
| RUN129 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-f203cb68-20_1 |
|
5.9 ± 0.5 |
|
|
||||