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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]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

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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: 2022-04-07
Last update: 2024-12-21
Created with KNIME version: v4.1.3
Tags: DockingGlide

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