| Compound ID | TRY-UNI-2eddb1ff-4 |
| ΔG / kcal M-1 | −4.8 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN43 | ADA-UCB-6c2cb422-1_1 |
|
TRY-UNI-2eddb1ff-4_1 |
|
3.2 ± 0.3 |
|
|
||||