| Compound ID | BAR-COM-0f94fc3d-38 |
| ΔG / kcal M-1 | −6.4 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN120 | ADA-UCB-6c2cb422-1_1 |
|
BAR-COM-0f94fc3d-38_2 |
|
1.1 ± 0.3 |
|
|
||||
| RUN127 | ADA-UCB-6c2cb422-1_1 |
|
BAR-COM-0f94fc3d-38_1 |
|
5.1 ± 0.4 |
|
|
||||