KNIME PLANTS

KNIME workflow nodes to configure, run and analyze PLANTS protein-ligand docking.

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78 commits | Last update: March 23, 2018

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What KNIME PLANTS can do for you

  • 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
Tags
  • Workflow technologies
Programming Language
  • Java
License
  • Apache-2.0

Participating organizations

Contributors

  • Stefan Verhoeven
    Netherlands eScience Center
Contact person
Stefan Verhoeven
Netherlands eScience Center