Article ID: 1035 - Last Modified: June 7, 2011
Why do I get fewer poses per ligand than requested?
Glide has been designed to produce good poses (i.e., accurate docking modes) and to distinguish actives from inactives in virtual screening, not to produce a fixed number of poses, regardless of quality. Therefore, if Glide finds only a few good poses, you may end up with fewer results than requested. This is especially true for Glide XP, because, in addition to the "harder" scoring function, poses are retained only if they fall within a certain (Emodel) energy window of the best pose for a given ligand.
Keywords: number of poses
#56: In a Glide docking study, I requested 15 poses but I received feedback that the degeneracy check includes only 10 pos...
#585: I specified 3 poses per ligand for DOCK_POSES_PER_LIGAND, but my "lib" file (with all the docked ligands) only has on...
#732: I'd like to retain the first 1000 poses with lowest energy for a ligand when I do docking in Glide. Although I specif...
Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles