Compound ID | MAT-POS-8a69d52e-4 |
ΔG / kcal M-1 | −9.0 ± 0.1 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN76 | MAT-POS-8a69d52e-7_1 | MAT-POS-8a69d52e-4_2 | −1.34 ± 0.08 | ||||||||
RUN75 | MAT-POS-8a69d52e-7_1 | MAT-POS-8a69d52e-4_2 | −1.09 ± 0.09 |