| Compound ID | EN300-313360_2 |
| ΔG / kcal M-1 | −15.3 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN528 | MAT-POS-8a69d52e-7_1 |
|
EN300-313360_2_4 |
|
2.9 ± 0.6 |
|
|
||||
| RUN1046 | MAT-POS-8a69d52e-7_1 |
|
EN300-313360_2_2 |
|
3.6 ± 0.4 |
|
|
||||