| Compound ID | MAT-POS-f7918075-8 |
| ΔG / kcal M-1 | −6.70 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | 4.877427702642312 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN271 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-f7918075-8_1 |
|
2.1 ± 0.3 |
|
|
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