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AutoDock Vina

LigandScout Extensions for the KNIME Workbench version 1.8.0 by InteLigand GmbH

The AutoDock Vina node enables docking experiments via AutoDock Vina.



Set the exhaustiveness of the global search. A greater exhaustivness value will lead to an increased computation time.
(Default: 8)
Max. num. of modes
Set the maximum number of binding modes to generate.
(Default: 9)
Max. energy difference
Set the maximum energy difference between the best binding mode and the worst one displayed, in kcal/mol.
(Default: 3)

Active Site Selection

All active sites for which the node should consider for the docking process.
(Default: The biggest active site)

Input Ports

Table containing the macromolecule(s)
Table containing the molecule(s) to dock

Output Ports

Table containing the docking result(s)

Best Friends (Incoming)

Best Friends (Outgoing)


To use this node in KNIME, install LigandScout Extensions for the KNIME Workbench from the following update site:


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