| Compound ID | EN300-208959_1 |
| ΔG / kcal M-1 | −12.6 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN8813 | MAT-POS-8a69d52e-7_1 |
|
EN300-208959_1_2 |
|
−6.6 ± 0.2 |
|
|
||||
| RUN6568 | MAT-POS-8a69d52e-7_1 |
|
EN300-208959_1_3 |
|
−1.5 ± 0.3 |
|
|
||||
| RUN2787 | MAT-POS-8a69d52e-7_1 |
|
EN300-208959_1_1 |
|
1.2 ± 0.3 |
|
|
||||
| RUN3070 | MAT-POS-8a69d52e-7_1 |
|
EN300-208959_1_4 |
|
10.5 ± 0.2 |
|
|
||||