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Binding site 1-2

SiteMap binding site characterization

Identify and characterize possible ligand binding sites (allosteric sites). Generate the ligand Interaction Diagrams.

[Requires: SiteMap]

The SiteMap node is used in more complex workflow examples:
- Real work examples - SiteMap and docking
- Real work examples - Binding site shape clustering

SiteMap binding site characterization:Identify and characterize possible ligand binding sites (allosteric sites). Generate the ligand Interaction Diagrams.[Requires: SiteMap]The SiteMap node is used in more complex workflow examples:- Real work examples - SiteMap and docking- Real work examples - Binding site shape clusteringProtein-ligand complexesProtein and largest ligandSite properties Only the largest sites (> 100)Sitemap termsPossible binding site visualizationSingle bindingsite regionSitemap termsProteinsand ligands[configure the regionto be examined]Ligand binding sitecharacterization Inspect the Ligand Interaction diagramsPlot imagesGet PDB Protein PreparationWizard Split complexes Table Viewer SiteMap Extract Properties Run Maestro SiteMap Extract Properties A single bindingsite region Table Viewer Transpose Image to Report Table Viewer Ligand InteractionDiagram Test in batch SiteMap binding site characterization:Identify and characterize possible ligand binding sites (allosteric sites). Generate the ligand Interaction Diagrams.[Requires: SiteMap]The SiteMap node is used in more complex workflow examples:- Real work examples - SiteMap and docking- Real work examples - Binding site shape clusteringProtein-ligand complexesProtein and largest ligandSite properties Only the largest sites (> 100)Sitemap termsPossible binding site visualizationSingle bindingsite regionSitemap termsProteinsand ligands[configure the regionto be examined]Ligand binding sitecharacterization Inspect the Ligand Interaction diagramsPlot imagesGet PDB Protein PreparationWizard Split complexes Table Viewer SiteMap Extract Properties Run Maestro SiteMap Extract Properties A single bindingsite region Table Viewer Transpose Image to Report Table Viewer Ligand InteractionDiagram Test in batch

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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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On NodePit since: 2020-02-17
Last update: 2020-02-26
Created with KNIME version: v4.1.0
Tags: DockingSiteMap

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