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Covalent docking

Covalent Docking

Dock and covalently binds ligands to the specified reactive residue in the protein target using Michael addition reaction type.

[Requires: ProteinPrep, LigPrep]

Covalent Docking: Dock and covalently binds ligands to the specified reactive residue in the protein target using Michael addition reaction type.[Requires: ProteinPrep, LigPrep]1U9Q Ligand Ligand onlyPrepared view X:25 reactive residueMichael Addition Score %file%Get PDB Protein PreparationWizard Split by Structure LigPrep Row Splitter Run Maestro Covalent Docking Ungroup MAE Extract Properties Sorter Molecule Writer(from MAE) Covalent Docking: Dock and covalently binds ligands to the specified reactive residue in the protein target using Michael addition reaction type.[Requires: ProteinPrep, LigPrep]1U9Q Ligand Ligand onlyPrepared view X:25 reactive residueMichael Addition Score %file%Get PDB Protein PreparationWizard Split by Structure LigPrep Row Splitter Run Maestro Covalent Docking Ungroup MAE Extract Properties Sorter 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
Created by: foucher
Created at: 2017-06-06
On NodePit since: 2020-08-12
Last update: 2024-11-18
Created with KNIME version: v4.1.3
Tags: ProteinPrepLigPrep

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