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Article ID: 867 - Last Modified:

Is it possible to run IFD with a fixed ligand core, as in Glide docking?

Core constraints to a ligand core can be applied with the extended sampling protocol that was introduced in the 2013-1 release, and can be applied with the standard (original) protocol as of the 2013-3 release. If you want other Glide features, you can run the Glide docking separately with the appropriate settings. See article 1000 for a detailed description of how to do this.

Keywords: Induced fit, Glide constraints

Related Articles:

#1000: How do I start IFD in the Prime stage with preexisting Glide results?

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