| Compound ID | MAT-POS-38eb6498-6 |
| ΔG / kcal M-1 | −8.3 ± 0.3 |
| pIC50 | 6.0 ± 0.2 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1667 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-38eb6498-6_1 |
|
−1.6 ± 0.5 |
|
|
|
|||
| RUN1664 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-38eb6498-6_1 |
|
1.3 ± 0.3 |
|
|
|
|||
