| Compound ID | EN300-221518_3 |
| ΔG / kcal M-1 | −14.4 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1072 | MAT-POS-8a69d52e-7_1 |
|
EN300-221518_3_1 |
|
−2.5 ± 0.3 |
|
|
||||
| RUN1080 | MAT-POS-8a69d52e-7_1 |
|
EN300-221518_3_1 |
|
−1.9 ± 0.3 |
|
|
||||
| RUN1064 | MAT-POS-8a69d52e-7_1 |
|
EN300-221518_3_1 |
|
−1.8 ± 0.3 |
|
|
||||