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Grid generation 1-2

Protein preparation and Glide grid generation

Align the binding site, and prepare PDB structures, generate the Glide grids and write them to disk. Analyze the protein-ligand complex composition and display the ligand structures in 2D.

[Requires: Glide]

Protein preparation and Glide grid generation: Align the binding site, and prepare PDB structures, generate the Glide grids and write them to disk. Analyze the protein-ligandcomplex composition and display the ligand structures in 2D.[Requires: Glide] Write prepared structures to filesnamed after the PDB ID (using the column containing outputfile name option)ligand-sizemolecules#atomsPDB IDPreparation in one step3 kinases2D rendererLigands in complexesWrite prepared structuresLigand modeOutput names Align Binding Sites Row Filter Extract Properties Extract Properties Protein PreparationWizard Get PDB MAE-to-Smiles Table Viewer Molecule Writer(from MAE) Split by Structure Assign Bond Orders Java Snippet(simple) Protein preparation and Glide grid generation: Align the binding site, and prepare PDB structures, generate the Glide grids and write them to disk. Analyze the protein-ligandcomplex composition and display the ligand structures in 2D.[Requires: Glide] Write prepared structures to filesnamed after the PDB ID (using the column containing outputfile name option)ligand-sizemolecules#atomsPDB IDPreparation in one step3 kinases2D rendererLigands in complexesWrite prepared structuresLigand modeOutput names Align Binding Sites Row Filter Extract Properties Extract Properties Protein PreparationWizard Get PDB MAE-to-Smiles Table Viewer Molecule Writer(from MAE) Split by Structure Assign Bond Orders Java Snippet(simple)

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

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