| Compound ID | MIC-UNK-5a93dd5f-11 |
| ΔG / kcal M-1 | −8.3 ± 0.8 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN442 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-11_1 |
|
−0.5 ± 0.8 |
|
|
||||
| RUN434 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-11_2 |
|
8.4 ± 0.8 |
|
|
||||