| Compound ID | MAT-POS-be048f2c-8 |
| ΔG / kcal M-1 | 2.2 ± 0.7 |
| pIC50 | −1.6 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1679 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-be048f2c-8_1 |
|
8.7 ± 0.6 |
|
|
|
|||
| RUN1678 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-be048f2c-8_1 |
|
11.7 ± 0.7 |
|
|
|
|||
