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Protein Alignment

Protein Structure Alignment

Extract one monomer from each of the two multimers. Align the binding sites (via the 'Align Binding Sites' node) or the whole structure (using the 'Protein Structure Alignment' node).

[Requires: Maestro]

Protein Structure Alignment: Extract one monomer from each of the two multimers. Align the binding sites (via the 'Align Binding Sites' node) or the whole structure (using the 'Protein StructureAlignment' node). [Requires: Maestro]1pqc1p8d, 1pq6,3kfcDocking poses alignedBinding sites aligned%file% Proteins aligned Ligands1p8dPose viewer inputParameter flow variable On chain A1pqc1p8d, 1pq6,3kfcProteins alignedon chain A Ligands to berepositionedAlign Binding Sites Rotate All Get PDB Get PDB Run Maestro Run Maestro Protein PreparationWizard Molecule Writer(from MAE) Protein StructureAlignment Extract Properties Run Maestro Concatenate (Optionalin) (deprecated) Molecule Reader(to MAE) Get PDB Java EditVariable (simple) Concatenate Molecule-to-MAE Protein StructureAlignment Get PDB Get PDB Run Maestro Glide LigandDocking Protein Structure Alignment: Extract one monomer from each of the two multimers. Align the binding sites (via the 'Align Binding Sites' node) or the whole structure (using the 'Protein StructureAlignment' node). [Requires: Maestro]1pqc1p8d, 1pq6,3kfcDocking poses alignedBinding sites aligned%file% Proteins aligned Ligands1p8dPose viewer inputParameter flow variable On chain A1pqc1p8d, 1pq6,3kfcProteins alignedon chain A Ligands to berepositionedAlign Binding Sites Rotate All Get PDB Get PDB Run Maestro Run Maestro Protein PreparationWizard Molecule Writer(from MAE) Protein StructureAlignment Extract Properties Run Maestro Concatenate (Optionalin) (deprecated) Molecule Reader(to MAE) Get PDB Java EditVariable (simple) Concatenate Molecule-to-MAE Protein StructureAlignment Get PDB Get PDB Run Maestro Glide LigandDocking

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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

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