| Compound ID | EN300-7355519_2 |
| ΔG / kcal M-1 | −14.3 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN966 | MAT-POS-8a69d52e-7_1 |
|
EN300-7355519_2_2 |
|
0.3 ± 0.4 |
|
|
||||
| RUN726 | MAT-POS-8a69d52e-7_1 |
|
EN300-7355519_2_6 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1045 | MAT-POS-8a69d52e-7_1 |
|
EN300-7355519_2_4 |
|
0.8 ± 0.5 |
|
|
||||
| RUN1284 | MAT-POS-8a69d52e-7_1 |
|
EN300-7355519_2_3 |
|
2.2 ± 0.4 |
|
|
||||