| Compound ID | VLA-UNK-3a43cd95-3 |
| ΔG / kcal M-1 | −9.0 ± 0.1 |
| pIC50 | 6.53 ± 0.07 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1499 | VLA-UCB-50c39ae8-2_1 |
|
VLA-UNK-3a43cd95-3_1 |
|
0.10 ± 0.09 |
|
|
|
|||
