How do I interpret the values of the per-residue H-bond score?

The H-bond residue interaction term is the sum of the individual H-bond scores for H-bonds between the ligand and a given residue. The more negative the score, the stronger the H-bonding. The scores are influenced by the types of atoms involved in the H-bonds, and the geometries of the H-bonds. These scores are related to the overall GlideScore H-bond term ("glide hbond"), but there are scaling factors and other considerations such that the GlideScore H-bond term is not a simple sum of the residue-interaction hbond scores.

Keywords: H-bond score, per-residue, Glide

Back to Search Results