Icon

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

Nodes

Extensions

Links

Download

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

Download Workflow
Created by: adeplano
Created at: 2019-10-08
On NodePit since: 2020-04-09
Last update: 2026-01-07
Created with KNIME version: v4.1.2

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!