| Compound ID | VLA-UCB-05e51b3f-5 |
| ΔG / kcal M-1 | −11.5 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN311 | PET-UNK-29afea89-2_1 |
|
VLA-UCB-05e51b3f-5_1 |
|
−4.8 ± 0.1 |
|
|
||||