Aligns ligands on a reference structure treated flexibly as well, using Shape screening.
[32102] 22.2.4
See more details on https://kni.me/w/aVt4hyxyM8IAAKak
Workflow
Ligand alignment by shape with a flexible reference
Used extensions & nodes
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KNIME AG, Zurich, Switzerland
Version 4.5.0
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KNIME AG, Zurich, Switzerland
Version 4.5.1
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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
Version 4.5.0
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KNIME AG, Zurich, Switzerland
Versions 4.3.2, 4.6.0
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Schrödinger
Versions 21.2.105, 22.2.110, 22.4.125
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