| Compound ID | EN300-90142_1 |
| ΔG / kcal M-1 | −10.0 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN5414 | MAT-POS-8a69d52e-7_1 |
|
EN300-90142_1_4 |
|
−3.7 ± 0.3 |
|
|
||||
| RUN9557 | MAT-POS-8a69d52e-7_1 |
|
EN300-90142_1_2 |
|
−3.1 ± 0.3 |
|
|
||||
| RUN5790 | MAT-POS-8a69d52e-7_1 |
|
EN300-90142_1_1 |
|
−2.5 ± 0.3 |
|
|
||||
| RUN7896 | MAT-POS-8a69d52e-7_1 |
|
EN300-90142_1_3 |
|
−0.6 ± 0.3 |
|
|
||||