Targeted scoring functions for virtual screening

Drug Discov Today. 2009 Jun;14(11-12):562-9. doi: 10.1016/j.drudis.2009.03.013. Epub 2009 Apr 5.


The benefit offered by virtual screening methods during the early drug discovery process is directly related to the predictivity of scoring functions that assess protein-ligand binding affinity. The scoring of protein-ligand complexes, however, is still a challenge: despite great efforts, a universal and accurate scoring method has not been developed up to now. Targeted scoring functions, in contrast, enhance virtual screening performance significantly. This review analyzes recent developments and future directions in the area of targeted scoring functions.

Publication types

  • Review

MeSH terms

  • Animals
  • Drug Design
  • Drug Discovery / methods
  • Drug Discovery / trends
  • Drug Evaluation, Preclinical / methods*
  • Drug Evaluation, Preclinical / trends
  • Humans
  • Pharmaceutical Preparations / chemistry
  • Protein Binding
  • Research Design* / trends


  • Pharmaceutical Preparations