| Compound ID | TRY-UNI-714a760b-15 |
| ΔG / kcal M-1 | −6.0 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3 | ADA-UCB-6c2cb422-1_1 |
|
TRY-UNI-714a760b-15_2 |
|
1.6 ± 0.2 |
|
|
||||
| RUN0 | ADA-UCB-6c2cb422-1_1 |
|
TRY-UNI-714a760b-15_1 |
|
2.9 ± 0.4 |
|
|
||||