| Compound ID | MAK-UNK-ffc90da7-6 |
| ΔG / kcal M-1 | −8.34 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN411 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-ffc90da7-6_2 |
|
−1.0 ± 0.1 |
|
|
||||
| RUN390 | ADA-UCB-6c2cb422-1_1 |
|
MAK-UNK-ffc90da7-6_1 |
|
−0.5 ± 0.1 |
|
|
||||