| Compound ID | VLA-UNK-411a133b-1 |
| ΔG / kcal M-1 | −8.4 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN685 | ADA-UCB-6c2cb422-1_1 |
|
VLA-UNK-411a133b-1_1 |
|
−1.0 ± 0.1 |
|
|
||||