In this workflow P450 Site of Metabolism calculation can be set and run to evaluate a set of ligands for the likely sites of metabolism by 2D6 or 2C9 P450 isoform.
Workflow
P450 Site of Metabolism
Used extensions & nodes
Created with KNIME Analytics Platform version 4.4.1
- Go to item
KNIME AG, Zurich, Switzerland
Version 3.5.1
- Go to item
KNIME AG, Zurich, Switzerland
Version 3.5.0
- Go to item
Schrödinger
Versions 20.4.125, 22.1.87
Schrodinger
Version 4.2.5
Legal
By using or downloading the workflow, you agree to our terms and conditions.