VLA-UNK-9a7dc93f-7

molecule

Data

Compound ID VLA-UNK-9a7dc93f-7
ΔG / kcal M-1 −8.01 ± 0.09
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN566 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-9a7dc93f-7_1 molecule −0.71 ± 0.10 work distributions convergence plot
RUN572 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-9a7dc93f-7_2 molecule 0.42 ± 0.10 work distributions convergence plot
Last updated 2021-06-28T06:48:12.928265+00:00
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