Knowledge Base

Article ID: 793 - Last Modified:

How accurate are the XP GlideScores?

For absolute values of the GlideScore compared with experimental binding energies, the errors actually can be quite large (~4 kcal/mol) for both SP and XP. This is due to several factors, including the use of a rigid receptor structure, gridded potentials and site-point searches, and inaccuracies in our continually-improving scoring functions. Prediction of absolute binding energies (and even relative rankings) is an extremely challenging task. Glide is primarily intended for database enrichment, not for prediction of binding energies.

Keywords: Glide, GlideScore, accuracy

Related Articles:

#573: Can I calculate binding affinities with Schrödinger software?
#144: GlideScore/Docking Score doesn't correlate with my known activities. What is wrong?
#1027: What is the difference between GlideScore and Emodel, and which should I use for ranking poses?

Back to Search Results

Was this information helpful?

What can we do to improve this information?

To ask a question or get help, please submit a support ticket or email us at
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles