| Compound ID | MIC-UNK-d36ab305-1 |
| ΔG / kcal M-1 | −8.2 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN240 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-d36ab305-1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN242 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-d36ab305-1_2 |
|
1.0 ± 0.2 |
|
|
||||