| Compound ID | MAT-POS-38eb6498-3 |
| ΔG / kcal M-1 | −6.6 ± 0.3 |
| pIC50 | 4.8 ± 0.3 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN877 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-38eb6498-3_2 |
|
2.1 ± 0.3 |
|
|
|
|||
| RUN866 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-38eb6498-3_1 |
|
5.4 ± 0.3 |
|
|
|
|||
