Cheminformatics - XChem combined virtual screening of the SARS-CoV-2

public public 1yr ago Version: Version 1 0 bookmarks
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cheminformatics-xchem-combined
cheminformatics-xchem-combined
cheminformatics-xchem-combined
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This workflow is used for the virtual screening of the SARS-CoV-2 main protease (de.NBI-cloud, STFC). It includes Charge enumeration, Generation of 3D conformations, Preparation of active site for docking using rDock, Docking, Scoring and Selection of compounds available. 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=18&trs_version=1
Name: cheminformatics-xchem-combined
Version: Version 1
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Copyright: Public Domain
License: MIT License
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