| Compound ID | MIK-ENA-8063e9dc-1 |
| ΔG / kcal M-1 | −4.8 ± 0.9 |
| pIC50 | 3.5 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2069 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-8063e9dc-1_1 |
|
−0.3 ± 0.9 |
|
|
|
|||
| RUN2073 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-8063e9dc-1_1 |
|
2.6 ± 1.0 |
|
|
|
|||
| RUN2071 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-8063e9dc-1_1 |
|
4.6 ± 0.9 |
|
|
|
|||
