KNIME PLANTS

doi:10.5281/zenodo.997272

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KNIME PLANTS

A node for the KNIME workflow system that allows you to use the PLANTS protein-ligand docking algorithm.

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84 commitsLast commit ≈ 23 months ago4 stars2 forks

Cite this software

DOI:

10.5281/zenodo.997272

Description

For cheminformaticians who want to combine protein-ligand docking with other KNIME workflow steps
Makes it possible to generate a PLANTS config file, run the PLANTS executable and ingest the PLANTS output from a KNIME workflow
The KNIME nodes come bundled with a PLANTS executable, so it does not have to be installed by each user separately
Used in workflows to perform an all-versus-all docking of all ligand-protein complexes of the Kinase and GPRC family in the protein data bank