| Compound ID | MIC-UNK-50cce87d-5 |
| ΔG / kcal M-1 | −12.8 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN552 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-50cce87d-5_1 |
|
−4.4 ± 0.2 |
|
|
||||
| RUN538 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-50cce87d-5_2 |
|
−0.5 ± 0.2 |
|
|
||||