How are Emodel and the docking score used in ranking ligands?

For Glide HTVS and Glide SP, the Emodel score is used to rank poses of a given ligand, i.e,. for pose selection. For Glide XP, there isn't a single score used for pose selection, so we report the "XP PoseRank". The docking score or GlideScore is an estimate of the binding energy, and is used for ranking different ligands.

Keywords: Emodel, docking score, rank poses,

Back to Search Results