| Compound ID | ALP-UNI-44c99a80-3 |
| ΔG / kcal M-1 | −13.0 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN172 | MAT-POS-8a69d52e-7_1 |
|
ALP-UNI-44c99a80-3_1 |
|
2.0 ± 0.5 |
|
|
||||