Cheminformatics - Active site generation

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cheminformatics-active-site-generation
cheminformatics-active-site-generation
cheminformatics-active-site-generation
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This workflow generates a file describing the active site of the protein for each of the fragment screening crystal structures using rDock s rbcavity. It also creates a single hybrid molecule that contains all the ligands - the "frankenstein" ligand. More info can be found at https://covid19.galaxyproject.org/cheminformatics/

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Created: 1yr ago
Updated: 1yr ago
Maitainers: public
URL: https://usegalaxy.eu/workflows/trs_import?trs_server=workflowhub.eu&run_form=true&trs_id=13&trs_version=1
Name: cheminformatics-active-site-generation
Version: Version 1
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Copyright: Public Domain
License: MIT License
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