MAT-POS-8a69d52e-1

molecule

Data

Compound ID MAT-POS-8a69d52e-1
ΔG / kcal M-1 −8.60 ± 0.06
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN21 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-1_4 molecule −0.22 ± 0.09 work distributions convergence plot
RUN37 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-1_3 molecule −0.12 ± 0.04 work distributions convergence plot
Last updated 2021-01-31T06:25:34.735610+00:00
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