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Epik
LigPrep LiveDesign Schrodinger Jaguar Macromodel Nodes
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    Workflow
    Protonation forms
    LiveDesign LigPrep Epik
    +1
    Generates protonation forms with Epik and adds a new column with the structure of the most probable form. [32679] 21.2.0
    schroedinger > Internal development > 23-1 > Protonation forms2
    0
    schroedinger
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    Workflow
    QM Conformer & Tautomer Predictor
    Jaguar Macromodel Epik
    Generate the lowest energy tautomers or conformers (or both) for a set of structures, with optional protonation or deprotonation.…
    schroedinger > Workflow_examples > Quantum Mechanics > Conformer et tautomer prediction > Tautomer prediction
    0
    schroedinger
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    Workflow
    Epik
    Nodes Epik LigPrep
    Predict ligand states with Epik and report the ionization form matrix. Generate with LigPrep minimized ionization-tautomeric form…
    schroedinger > Workflow_examples > _Nodes > Epik > Epik
    0
    schroedinger
  4. Go to item
    Workflow
    Protonation forms
    LiveDesign LigPrep Epik
    +1
    Generates protonation forms with Epik and adds a new column with the structure of the most probable form. [32679] 21.2.0 See more…
    schroedinger > LiveDesign_models > Ligand preparation and library design > Protonation forms
    0
    schroedinger

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