@datagrok/peptides v1.17.17

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.

Issue tracker

Peptides space

Visualizes a collection of peptides in 2-dimensional space, using t-SNE with the edit distance function.

Issue tracker Datagrok community: Macromolecules