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I'm getting the following message when docking a ligand with Glide.

NO POSES STORED FOR LIGAND 1 (******from-structure)
%IMPACT-W: No Ligand Poses were written to external file.

What does this message indicate?

This message usually occurs when Glide cannot find any good poses that satisfy the constraints. When Glide can't find poses when constraints are applied, it often is because the tolerance (e.g., with a positional or core constraint) is too strict. The active site search is performed on a grid, and if the constraint sphere radius or RMSD is too small, all the poses could get rejected.

If you aren't applying constraints, this message also could indicate that all poses have been rejected during post-docking minimization (PDM). This generally happens if the input poses to PDM have high energy, which causes problems for the minimizer. You might be able to get a result by turning off PDM and increasing the Coulomb-vdW filter cutoff (Advanced Settings on the Output tab). This will allow higher-energy poses to be retained. They probably won't be scored very well, but by examining the poses in Maestro, you might be able to diagnose why Glide is having trouble finding low-energy poses.

Keywords: constraints, poses, Glide

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