| Compound ID | VLA-UCB-34f3ed0c-20 |
| ΔG / kcal M-1 | −12.6 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN179 | MAT-POS-8a69d52e-7_1 |
|
VLA-UCB-34f3ed0c-20_1 |
|
1.5 ± 0.5 |
|
|
||||