Icon

Loop over parameters

Loop Over Docking Parameters

Dock the same set of ligands with several sets of docking parameters and compare the number of top scoring poses.

[Requires: Glide]

Loop Over Docking Parameters: Dock the same set of ligands with several sets of docking parameters and compare the number of top scoring poses.[Requires: Glide]DisabledCompare the parametersDocking parameters to testGUIScores < -4.5Ligands to dock%file%P38 MAPK (1bl7)%file%Testing Table Viewer Test parameters Table Creator Number ofgood scores Molecule Reader(to MAE) Glide Grid Reader Loop Over Docking Parameters: Dock the same set of ligands with several sets of docking parameters and compare the number of top scoring poses.[Requires: Glide]DisabledCompare the parametersDocking parameters to testGUIScores < -4.5Ligands to dock%file%P38 MAPK (1bl7)%file%Testing Table Viewer Test parameters Table Creator Number ofgood scores Molecule Reader(to MAE) Glide Grid Reader

Nodes

Extensions

Links

Download

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

Download Workflow
On NodePit since: 2022-04-07
Last update: 2026-01-10
Created with KNIME version: v4.1.3
Tags: DockingGlide

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

Try NodePit Runner!