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Article ID: 36 - Last Modified:

What are the docking settings used in CombiGlide core hopping that I can use to reproduce the docking results in Glide?

In Maestro, go to Applications → Core Hopping → Protocore Docking. You will see an option that reads "Dock molecules from previous protocore alignment". You can select this option to set up a second-stage docking job. It can be expected to work only with output from a previous core-hopping alignment-only run; however, the settings you would need to run such a job will be found in the .inp file created by this panel selection.

Keywords: Docking settings, Core hopping, reproduce, Glide, Protocore alignment.

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