Compound ID | MAT-POS-b5746674-100 |
ΔG / kcal M-1 | −1.8 ± 0.7 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN45 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-b5746674-100_1 |
|
6.2 ± 0.7 |
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