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Pharmacelera_​Standard_​VS

Workflow

Pharmacelera_Standard_VS

Workflow to perform 3D Ligand-Based Virtual Screening with PharmScreen.

- 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.

Settings Parametrization Virtual Screening Output files Pharmacelera Knime WorkFlow: Pharmacelera_Standard_VSWorkflow to perform 3D Ligand-Based Virtual Screening with PharmScreen.- To run the workflow fill each option of the Settings node, optionally is possible to perform acustomized Virtual Screening changing the parameters on the Ligand Preparation and VirtualScreening nodes. sdf rankingReferenceParametrizationLibraryParametrizationVSranking SDF Writer Ligand Preparation Ligand Preparation Virtual Screening CSV Writer Settings Settings Parametrization Virtual Screening Output files Pharmacelera Knime WorkFlow: Pharmacelera_Standard_VSWorkflow to perform 3D Ligand-Based Virtual Screening with PharmScreen.- To run the workflow fill each option of the Settings node, optionally is possible to perform acustomized Virtual Screening changing the parameters on the Ligand Preparation and VirtualScreening nodes. sdf rankingReferenceParametrizationLibraryParametrizationVSranking SDF Writer Ligand Preparation Ligand Preparation Virtual Screening CSV Writer Settings

Download

Get this workflow from the following link: Download

Nodes

Pharmacelera_​Standard_​VS consists of the following 18 nodes(s):

Plugins

Pharmacelera_​Standard_​VS contains nodes provided by the following 5 plugin(s):