VLA-UCB-05e51b3f-12

molecule

Data

Compound ID VLA-UCB-05e51b3f-12
ΔG / kcal M-1 −13.4 ± 0.5
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN205 MAT-POS-8a69d52e-7_1 molecule VLA-UCB-05e51b3f-12_2 molecule −1.5 ± 0.5 work distributions convergence plot
RUN208 MAT-POS-8a69d52e-7_1 molecule VLA-UCB-05e51b3f-12_1 molecule −0.4 ± 0.4 work distributions convergence plot
Last updated 2020-11-10T09:47:34.099229+00:00
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