| Compound ID | MAK-UNK-ffc90da7-3 |
| ΔG / kcal M-1 | −9.99 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1082 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-ffc90da7-3_1 |
|
−2.83 ± 0.09 |
|
|
||||
| RUN1081 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-ffc90da7-3_2 |
|
−1.1 ± 0.1 |
|
|
||||