| Compound ID | EN300-1911992_4 |
| ΔG / kcal M-1 | −14.1 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN957 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_4_3 |
|
−1.9 ± 0.4 |
|
|
||||
| RUN1115 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_4_4 |
|
0.7 ± 0.5 |
|
|
||||
| RUN301 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_4_2 |
|
1.4 ± 0.5 |
|
|
||||
| RUN1163 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_4_1 |
|
2.9 ± 0.6 |
|
|
||||