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Article ID: 616 - Last Modified:

How do I run a ligand preparation and filter the results by Lipinski's rules?

The easiest way to do this is to use the Virtual Screening Workflow to prepare ligands and filter, all in one step. In Suite 2009, you can set up the preparation in the Ligands tab, then select Run QikProp and Prefilter by Lipinski's Rule, and click Start to run the job. From Suite 2010 on, you can select these options in the Filtering tab, and set up the ligand preparation in the Preparation tab, then click Start.

Keywords: filter, Lipinski, LigPrep

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