| Compound ID | MIC-UNK-5a93dd5f-4 |
| ΔG / kcal M-1 | −8.8 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN400 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-4_2 |
|
−1.5 ± 0.4 |
|
|
||||
| RUN387 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-4_1 |
|
9.9 ± 0.2 |
|
|
||||