| Compound ID | MIK-ENA-e143773d-1 |
| ΔG / kcal M-1 | −2.6 ± 0.9 |
| pIC50 | 1.9 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1970 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-e143773d-1_2 |
|
0.6 ± 0.9 |
|
|
|
|||
| RUN1966 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-e143773d-1_2 |
|
6.5 ± 0.9 |
|
|
|
|||
| RUN1968 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-e143773d-1_1 |
|
7.7 ± 0.7 |
|
|
|
|||
| RUN1967 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-e143773d-1_1 |
|
18.6 ± 0.6 |
|
|
|
|||
