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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.
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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
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Netherlands eScience Center
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