Generates protonation forms with Epik and adds a new column with the structure of the most probable form.
[32679] 21.2.0
See more details on https://kni.me/w/eYOlcu887qiyU9mm
Workflow
Protonation forms
S
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 4.5.1
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KNIME AG, Zurich, Switzerland
Version 4.5.0
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KNIME AG, Zurich, Switzerland
Version 4.5.0
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Schrödinger
Version 22.3.121
Sschroedinger
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