MAT-POS-0bc33984-2

molecule

Data

Compound ID MAT-POS-0bc33984-2
ΔG / kcal M-1 −7.0 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1016 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-0bc33984-2_2 molecule 2.8 ± 0.4 work distributions convergence plot
RUN1012 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-0bc33984-2_1 molecule 3.4 ± 0.3 work distributions convergence plot
Last updated 2021-08-11T07:45:12.691355+00:00
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