| Compound ID | ADA-UNI-f8e79267-8 |
| ΔG / kcal M-1 | −5.4 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN34 | ADA-UCB-6c2cb422-1_1 |
|
ADA-UNI-f8e79267-8_2 |
|
2.1 ± 0.4 |
|
|
||||
| RUN28 | ADA-UCB-6c2cb422-1_1 |
|
ADA-UNI-f8e79267-8_1 |
|
4.1 ± 0.3 |
|
|
||||