Icon

Induced-fit docking 1-2

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-ligand complexes (molecular representation, color, mutations) can be set beforedisplaying the results in Maestro.[Requires: Prime and Glide]IFD scoresAlter the rendering and inspect the complexesIFD score3 known activeligands%file%1pqc PDB structure%file%7A around the ligand pose%file%Extract Properties Run Maestro Sorter Molecule Reader(to MAE) Molecule Reader(to MAE) Induced Fit Docking Molecule Writer(from MAE) 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 beforedisplaying the results in Maestro.[Requires: Prime and Glide]IFD scoresAlter the rendering and inspect the complexesIFD score3 known activeligands%file%1pqc PDB structure%file%7A around the ligand pose%file%Extract Properties Run Maestro Sorter Molecule Reader(to MAE) Molecule Reader(to MAE) Induced Fit Docking Molecule Writer(from MAE)

Nodes

Extensions

Links

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: 2024-12-17
Created with KNIME version: v4.1.0
Tags: ProteinPrimeGlide

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!