Compound ID | DAR-DIA-23e5a6a0-2 |
ΔG / kcal M-1 | −10.0 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN81 | MAT-POS-b3e365b9-1_1 | DAR-DIA-23e5a6a0-2_1 | −0.5 ± 0.4 | ||||||||
RUN88 | MAT-POS-b3e365b9-1_1 | DAR-DIA-23e5a6a0-2_2 | 0.3 ± 0.3 |