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13321_2016_171_MOESM3_ESM.xlsx Additional file 3. Summarization of preprocessing results for individual molecules from wwPDB CCD.
Preparation of datasets Two datasets containing molecules from wwPDB CCD were used for quality comparison a simple dataset for basic testing and a challenging dataset for deep analysis of EEM parameter set quality.
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The residue range from wwPDB corresponding to α E was approximated by PMML using 2 segments instead of one.
They're molecules constructed by chemistry as opposed to real molecules from nature.
Take semiconducting molecules from tattoo ink.
Small molecules from the human microbiota.
Phytoestrogens are estrogen-like molecules from plants.
Two enzymes cooperate in releasing glucose molecules from glycogen.
Sniffing involves opening the instruments to allow molecules from the surface to drift inside.
COSAC detects and identifies complex organic molecules from their elemental and molecular composition.
More than 30 molecules from 5 movies were taken.
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