KNIME node for Kripo

A node for the KNIME workflow systems that allows you to compare different binding sites in proteins with each other.

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148 commits | Last update: April 04, 2018

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What KNIME node for Kripo can do for you

  • For cheminformaticans who want to do structure-based protein binding site comparison and bioisosteric replacement for ligand design
  • It makes the Kripo Python library available in the KNIME workflow platform as workflow nodes.
  • Kripo encodes the interactions of protein and bound ligand also known as a pharmacophore into a fingerprint, the fingerprints can be compared to each other to find similar pharmacophores
  • The Kripo software is open source while most other similar software is commercial or requires registration
Tags
  • Workflow technologies
Programming Language
  • Java
  • Python
License
  • GPL-3.0
Source code

Participating organizations

Contributors

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