Workflow to perform 3D Ligand-Based Virtual Screening with PharmScreen and searching for the results on the ChEMBL Database.
- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changing the parameters on the Ligand Preparation and Virtual Screening nodes.
Drag & drop to use
Drag & drop this workflow right into the Explorer of KNIME Analytics Platform (4.x or higher). Or copy & paste the workflow URL there!
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