| Compound ID | ALP-POS-41e2080f-1 |
| ΔG / kcal M-1 | −5.7 ± 0.2 |
| pIC50 | 4.1 ± 0.1 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN533 | VLA-UCB-50c39ae8-2_1 |
|
ALP-POS-41e2080f-1_1 |
|
3.4 ± 0.2 |
|
|
|
|||
