| Compound ID | EN300-6736413_3 |
| ΔG / kcal M-1 | −13.3 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1776 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_3_2 |
|
−3.2 ± 0.3 |
|
|
||||
| RUN1768 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_3_2 |
|
−2.7 ± 0.3 |
|
|
||||
| RUN1576 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_3_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN1568 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_3_1 |
|
−1.7 ± 0.3 |
|
|
||||