| Compound ID | EN300-1448603_2 |
| ΔG / kcal M-1 | −13.6 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1146 | MAT-POS-8a69d52e-7_1 |
|
EN300-1448603_2_2 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN1138 | MAT-POS-8a69d52e-7_1 |
|
EN300-1448603_2_2 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN652 | MAT-POS-8a69d52e-7_1 |
|
EN300-1448603_2_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN660 | MAT-POS-8a69d52e-7_1 |
|
EN300-1448603_2_1 |
|
−0.1 ± 0.3 |
|
|
||||