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Induced-fit docking 1

Induced Fit Docking Protocol

Run the default Induced Fit Docking protocol or customize the individual stages. The visual representation of the protein-ligand complexes (molecular representation, color, mutations) can be set before displaying the results in Maestro.

[Requires: Prime and Glide]

Induced Fit Docking Protocol: Run the default Induced Fit Docking protocol or customize the individual stages. The visual representation of the protein-ligandcomplexes (molecular representation, color, mutations) can be set before displaying the results in Maestro.[Requires: Prime and Glide]IFD scoresPrepare the rendering and inspect the complexesIFD score3 known activeligands1pqc PDB structure7A around the ligand poseExtract Properties Run Maestro Sorter Molecule Reader(to MAE) Molecule Reader(to MAE) Induced Fit Docking Ungroup MAE Induced Fit Docking Protocol: Run the default Induced Fit Docking protocol or customize the individual stages. The visual representation of the protein-ligandcomplexes (molecular representation, color, mutations) can be set before displaying the results in Maestro.[Requires: Prime and Glide]IFD scoresPrepare the rendering and inspect the complexesIFD score3 known activeligands1pqc PDB structure7A around the ligand poseExtract Properties Run Maestro Sorter Molecule Reader(to MAE) Molecule Reader(to MAE) Induced Fit Docking Ungroup MAE

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Download

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

Download Workflow
On NodePit since: 2020-08-12
Last update: 2024-11-18
Created with KNIME version: v4.1.0
Tags: ProteinPrimeGlide

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