JOH-UNI-f51e3bbc-2

molecule

Data

Compound ID JOH-UNI-f51e3bbc-2
ΔG / kcal M-1 −14.8 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN219 MAT-POS-8a69d52e-7_1 molecule JOH-UNI-f51e3bbc-2_1 molecule 1.7 ± 0.1 work distributions convergence plot
RUN193 MAT-POS-8a69d52e-7_1 molecule JOH-UNI-f51e3bbc-2_2 molecule 3.1 ± 0.3 work distributions convergence plot
Last updated 2020-11-10T02:14:29.618973+00:00
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