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Glide Ligand Docking

SchrödingerDocking and Scoring
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Glide ligand docking jobs require a set of previously calculated receptor grids and one or more ligand structures. Preparation of the ligands before docking is strongly recommended. LigPrep or MacroModel can be used to prepare ligands. If a correct Lewis structure cannot be generated for a ligand, it will be skipped by the docking job.

Backend implementation

$SCHRODINGER/glide

Node details

Input ports
  1. Type: Table
    Glide Grid
    Glide Grid
  2. Type: Table
    Ligands in Maestro, Sd or Mol2 format
    Ligands in Maestro, Sd or Mol2 format
Output ports
  1. Type: Table
    Pose Viewer/Ligands in Maestro or Sd format
    Pose Viewer in Maestro or Sd format (i.e Receptor and docked ligands or only ligands)

Extension

The Glide Ligand Docking node is part of this extension:

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Related workflows & nodes

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