| Compound ID | EN300-190026_2 |
| ΔG / kcal M-1 | −16.6 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN576 | MAT-POS-8a69d52e-7_1 |
|
EN300-190026_2_4 |
|
3.2 ± 0.6 |
|
|
||||
| RUN1238 | MAT-POS-8a69d52e-7_1 |
|
EN300-190026_2_1 |
|
5.0 ± 0.5 |
|
|
||||