Input column: Compound structures in the LiveReport
Configuration: The pharmacophore hypothesis file can be changed on LiveDesign admin page or from the Parametrize model panel.
Aligns the ligands against a pharmacophore hypothesis using Phase.
Output column(s) in the LiveReport:
- 3D ligand alignment on the pharmacophore hypothesis
- Matched sites
- alignment score
To use this workflow in KNIME, download it from the below URL and open it in KNIME:Download Workflow
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