@datagrok/peptides
v1.19.0
Published
Advanced tools for analyzing collections of peptides.
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Peptides
Provides sequence-activity relationship analysis for peptides.
Detection and usage
Once a dataframe is opened with Datagrok, the column(s) containing peptides are detected automatically. Each amino acid is rendered with a different color, which helps to visually identify patterns. Clicking on the column header brings up the options to launch peptide-specific tools, such as SAR and Peptide space.
Sar
Wiki: Structure-Activity Relationship (SAR) is an approach designed to find relationships between chemical structure (or structural-related properties) and biological activity (or target property) of studied compounds.
Peptides SAR is an interactive analysis tool to help identify point mutations that cause large change in
activity. Given a peptide column with aligned sequences (max length N, number of unique amino acids A)
and activity column, it produces an N*A dataframe where (n, a) element contains a measure of the change
of activity caused by mutating the amino acid at position n to a.
Peptides space
Visualizes a collection of peptides in 2-dimensional space, using t-SNE with the edit distance function.