| Compound ID | MIC-UNK-fc94cdb5-1 |
| ΔG / kcal M-1 | −8.6 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN977 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-fc94cdb5-1_2 |
|
1.3 ± 0.4 |
|
|
||||
| RUN976 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-fc94cdb5-1_1 |
|
4.7 ± 0.2 |
|
|
||||