| Compound ID | TRY-UNI-714a760b-15 |
| ΔG / kcal M-1 | −5.0 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN799 | ADA-UCB-6c2cb422-1_1 |
|
TRY-UNI-714a760b-15_1 |
|
3.2 ± 0.3 |
|
|
||||
| RUN802 | ADA-UCB-6c2cb422-1_1 |
|
TRY-UNI-714a760b-15_2 |
|
6.4 ± 0.5 |
|
|
||||