| Compound ID | EN300-6504697_1 |
| ΔG / kcal M-1 | −17.6 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN760 | MAT-POS-8a69d52e-7_1 |
|
EN300-6504697_1_2 |
|
4.2 ± 0.5 |
|
|
||||
| RUN824 | MAT-POS-8a69d52e-7_1 |
|
EN300-6504697_1_1 |
|
6.5 ± 0.5 |
|
|
||||