| Compound ID | EN300-783124_1 |
| ΔG / kcal M-1 | −9.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN5314 | MAT-POS-8a69d52e-7_1 |
|
EN300-783124_1_1 |
|
−3.5 ± 0.2 |
|
|
||||
| RUN4014 | MAT-POS-8a69d52e-7_1 |
|
EN300-783124_1_3 |
|
−2.4 ± 0.2 |
|
|
||||
| RUN2477 | MAT-POS-8a69d52e-7_1 |
|
EN300-783124_1_4 |
|
−2.3 ± 0.2 |
|
|
||||
| RUN1089 | MAT-POS-8a69d52e-7_1 |
|
EN300-783124_1_2 |
|
−2.1 ± 0.2 |
|
|
||||