| Compound ID | ADA-UNI-f8e79267-10 |
| ΔG / kcal M-1 | −9.7 ± 0.8 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN746 | ADA-UCB-6c2cb422-1_1 |
|
ADA-UNI-f8e79267-10_2 |
|
−1.2 ± 0.8 |
|
|
||||
| RUN735 | ADA-UCB-6c2cb422-1_1 |
|
ADA-UNI-f8e79267-10_1 |
|
1.0 ± 0.6 |
|
|
||||