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Grid generation 1

Workflow

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]

DockingGlide
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]Optimize the H-bond networkDelete water moleculesInspect the structuresPreparation in one stepInspect the structures3 kinasesProtein Assignment Add Hydrogens Assign Bond Orders Delete Atoms Run Maestro Align Binding Sites Impref Protein PreparationWizard Run Maestro Get PDB 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]Optimize the H-bond networkDelete water moleculesInspect the structuresPreparation in one stepInspect the structures3 kinasesProtein Assignment Add Hydrogens Assign Bond Orders Delete Atoms Run Maestro Align Binding Sites Impref Protein PreparationWizard Run Maestro Get PDB

Download

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Nodes

Grid generation 1 consists of the following 10 nodes(s):

Plugins

Grid generation 1 contains nodes provided by the following 1 plugin(s):