Predict ligand states with Epik and report the ionization form matrix. Generate with LigPrep minimized ionization-tautomeric forms ready to be docked.
[Requires: Epik, LigPrep]
Workflow
Epik
Used extensions & nodes
Created with KNIME Analytics Platform version 4.0.1
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KNIME AG, Zurich, Switzerland
Version 4.0.1
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Schrödinger
Version 20.1.4
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