Docks the compounds with Glide. Also generates the protein surface and changes the rendering of the binding site (atoms displayed, residues labelled and the atom representation) to highlight important residues.
[32680] 22.2.4
See more details on https://kni.me/w/HYX2kc7MxNuEz0EF
Workflow
Docking and protein surface
Used extensions & nodes
Created with KNIME Analytics Platform version 4.6.1 Note: Not all extensions may be displayed.
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KNIME AG, Zurich, Switzerland
Version 4.5.0
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KNIME AG, Zurich, Switzerland
Version 4.6.1
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KNIME AG, Zurich, Switzerland
Version 4.6.0
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KNIME AG, Zurich, Switzerland
Versions 4.3.2, 4.6.0
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Schrödinger
Versions 21.2.102, 22.2.110, 22.4.125
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