| Compound ID | TRY-UNI-9f475305-3 |
| ΔG / kcal M-1 | −8.8 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN64 | ADA-UCB-6c2cb422-1_1 |
|
TRY-UNI-9f475305-3_2 |
|
−1.7 ± 0.1 |
|
|
||||
| RUN69 | ADA-UCB-6c2cb422-1_1 |
|
TRY-UNI-9f475305-3_1 |
|
−0.7 ± 0.1 |
|
|
||||