VLA-UNK-9a7dc93f-7

molecule

Data

Compound ID VLA-UNK-9a7dc93f-7
ΔG / kcal M-1 −8.53 ± 0.05
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN581 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-9a7dc93f-7_1 molecule −1.51 ± 0.04 work distributions convergence plot
RUN588 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-9a7dc93f-7_2 molecule 0.7 ± 0.1 work distributions convergence plot
Last updated 2021-11-12T06:17:11.317694+00:00
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