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Upload to Live Design - Docking

Upload to Live Design:This workflow is exported as new Live Design model when executing the Upload to Live Design node. The selected column(s) can be added to the Live Report. TheKNIME workflow is run from Live Design on the Compound structures.[Requires: Maestro, Live Design]%file%Output columnsto be added tothe Live Report.In Quotes tab, Quote Modeshould be 'if needed' Before exportingto Live Design%file%Compound structure column (2D) fromthe Live ReportOnly relevant columns for the Live Report"Corporate ID"as column nameGenenrate 3D coordinates Ensemble docking %file%2 conformations of the binding site CSV Writer Upload toLiveDesign Credentials Input Save Workflow SDF Reader Column Filter Column Rename LigPrep Glide LigandDocking Chunk Loop Start Loop End Glide Grid Reader Best pose Upload to Live Design:This workflow is exported as new Live Design model when executing the Upload to Live Design node. The selected column(s) can be added to the Live Report. TheKNIME workflow is run from Live Design on the Compound structures.[Requires: Maestro, Live Design]%file%Output columnsto be added tothe Live Report.In Quotes tab, Quote Modeshould be 'if needed' Before exportingto Live Design%file%Compound structure column (2D) fromthe Live ReportOnly relevant columns for the Live Report"Corporate ID"as column nameGenenrate 3D coordinates Ensemble docking %file%2 conformations of the binding site CSV Writer Upload toLiveDesign Credentials Input Save Workflow SDF Reader Column Filter Column Rename LigPrep Glide LigandDocking Chunk Loop Start Loop End Glide Grid Reader Best pose

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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Created by: kuppuraj
Created at: 2019-05-20
On NodePit since: 2020-02-06
Last update: 2020-02-26
Created with KNIME version: v3.7.1

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