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Article ID: 680 - Last Modified: December 4, 2010

It seems that Glide's conformation generator is not always preserving chirality when generating ring conformations. Is there a remedy for this?

This problem has been resolved in Suite 2010, so that chirality is preserved. If you are working with a previous release, one workaround is to turn off ring sampling. Another workaround, if you are docking just a few compounds, is to generate multiple poses per ligand, and then filtering the poses on the chirality properties. Note that pose selection for a given ligand is by Emodel, not GlideScore.

Keywords: ring sampling, chirality, Glide

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