| Compound ID | ADA-UNI-f8e79267-11 |
| ΔG / kcal M-1 | −8.0 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN15 | ADA-UCB-6c2cb422-1_1 |
|
ADA-UNI-f8e79267-11_1 |
|
0.9 ± 0.5 |
|
|
||||
| RUN29 | ADA-UCB-6c2cb422-1_1 |
|
ADA-UNI-f8e79267-11_2 |
|
2.8 ± 0.4 |
|
|
||||