| Compound ID | DAR-DIA-6be260fc-5 |
| ΔG / kcal M-1 | −6.6 ± 0.3 |
| pIC50 | 4.8 ± 0.2 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN6 | MAT-POS-c7726e07-5_1 |
|
DAR-DIA-6be260fc-5_1 |
|
0.7 ± 0.3 |
|
|
|
|||
| RUN7 | MAT-POS-c7726e07-5_1 |
|
DAR-DIA-6be260fc-5_1 |
|
1.1 ± 0.3 |
|
|
|
|||
