KNIME ss-TEA node

KNIME node to identify which residue position in a big protein sequence alignment is specific to ligand binding.

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33 commits | Last update: April 04, 2018

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For bioinformaticians or cheminformaticians who have no 3D structure of their protein, just a protein sequence and want to know which position is likely to bind a ligand.
It takes a big multi species multiple sequence alignment and a list of subfamily members to produce a score for each position in the sequence alignment.
Can tell which residue in a protein is likely to bind a ligand without 3D information
Ranked among best model in the GPCR dock 2010 competition. ss-TEA is as part of Snooker pharmacophore generation tool