VLA-UCB-50c39ae8-8

molecule

Data

Compound ID VLA-UCB-50c39ae8-8
ΔG / kcal M-1 −10.0 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN104 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-8_1 molecule −1.8 ± 0.2 work distributions convergence plot
RUN107 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-8_2 molecule −1.5 ± 0.2 work distributions convergence plot
Last updated 2021-01-23T04:52:59.212565+00:00
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