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KNIME node for Kripo

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

2
mentions
1
contributor

Cite this software

DOI:

10.5281/zenodo.597262

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
Keywords
Workflow technologies
Programming language
  • Java 100%
License
  • GPL-3.0
</>Source code

Participating organisations

Netherlands eScience Center
Radboud University Nijmegen
Vrije Universiteit Amsterdam

Mentions

Contributors

Stefan Verhoeven
Stefan Verhoeven

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