Compound ID | MAT-POS-8a69d52e-1 |
ΔG / kcal M-1 | −10.34 ± 0.08 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN21 | MAT-POS-b3e365b9-1_1 | MAT-POS-8a69d52e-1_4 | −0.83 ± 0.09 | ||||||||
RUN37 | MAT-POS-b3e365b9-1_1 | MAT-POS-8a69d52e-1_3 | −0.15 ± 0.04 |