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.
Workflow
Pharmacelera_VS_ChEMBL_Search
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.2
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KNIME AG, Zurich, Switzerland
Version 4.1.1
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KNIME AG, Zurich, Switzerland
Versions 4.1.1, 4.1.2
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KNIME AG, Zurich, Switzerland
Version 4.1.0
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KNIME AG, Zurich, Switzerland
Version 4.1.2
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KNIME AG, Zurich, Switzerland
Version 4.1.1
Pharmacelera
Version 1.0.0
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NIBR
Version 4.0.1
Legal
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