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Shape screening
LigPrep LiveDesign Schrodinger
  1. Workflow
    Ligand alignment by shape with a flexible reference
    LiveDesign Shape screening LigPrep
    +1
    Aligns ligands on a reference structure treated flexibly as well, using Shape screening. [32102] 22.2.4
    schroedinger > LiveDesign_models > Structure alignment > Ligand alignment by shape with a flexible reference
    0
    schroedinger
  2. Workflow
    Ligand alignment by shape with a cocrystallized reference
    LiveDesign Shape screening LigPrep
    +1
    Aligns ligands on a rigid template structure using Shape screening. [32301] 22.2.4
    schroedinger > LiveDesign_models > Structure alignment > Ligand alignment by shape with a cocrystallized reference
    0
    schroedinger
  3. Workflow
    Ligand alignment by shape with a cocrystallized reference
    LiveDesign Shape screening LigPrep
    +1
    Aligns ligands on a rigid template structure using Shape screening. [32301] 22.2.4
    schroedinger > Internal development > 22-4 > validated_models > Structure alignment > Ligand alignment by shape with a cocrystallized reference
    0
    schroedinger
  4. Workflow
    Ligand alignment by shape with a flexible reference
    LiveDesign Shape screening LigPrep
    +1
    Aligns ligands on a reference structure treated flexibly as well, using Shape screening. [32102] 22.2.4
    schroedinger > Internal development > 22-4 > validated_models > Structure alignment > Ligand alignment by shape with a flexible reference
    0
    schroedinger