| Compound ID | EN300-52467_1 |
| ΔG / kcal M-1 | −14.3 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1221 | MAT-POS-8a69d52e-7_1 |
|
EN300-52467_1_1 |
|
−1.8 ± 0.3 |
|
|
||||
| RUN1237 | MAT-POS-8a69d52e-7_1 |
|
EN300-52467_1_1 |
|
−1.8 ± 0.3 |
|
|
||||
| RUN1229 | MAT-POS-8a69d52e-7_1 |
|
EN300-52467_1_1 |
|
−1.7 ± 0.3 |
|
|
||||