| Compound ID | EN300-139167_4 |
| ΔG / kcal M-1 | −14.2 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1938 | MAT-POS-8a69d52e-7_1 |
|
EN300-139167_4_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1139 | MAT-POS-8a69d52e-7_1 |
|
EN300-139167_4_2 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1123 | MAT-POS-8a69d52e-7_1 |
|
EN300-139167_4_2 |
|
0.5 ± 0.3 |
|
|
||||
| RUN1131 | MAT-POS-8a69d52e-7_1 |
|
EN300-139167_4_2 |
|
1.2 ± 0.4 |
|
|
||||