| Compound ID | DAR-DIA-6be260fc-5 |
| ΔG / kcal M-1 | 0.4 ± 0.6 |
| pIC50 | −0.3 ± 0.4 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1093 | MAT-POS-c7726e07-5_1 |
|
DAR-DIA-6be260fc-5_1 |
|
9.5 ± 0.6 |
|
|
|
|||
| RUN1094 | MAT-POS-c7726e07-5_1 |
|
DAR-DIA-6be260fc-5_1 |
|
9.9 ± 0.6 |
|
|
|
|||
