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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]Compare the parametersDocking parameters to testGUIScores < -4.5%file%Ligands to dock%file%P38 MAPK (1bl7)%file%Table Viewer Test parameters Table Creator Number ofgood scores CSV Writer 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]Compare the parametersDocking parameters to testGUIScores < -4.5%file%Ligands to dock%file%P38 MAPK (1bl7)%file%Table Viewer Test parameters Table Creator Number ofgood scores CSV Writer Molecule Reader(to MAE) Glide Grid Reader

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Download

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

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

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