Virtual screening and fast automated docking methods

Drug Discov Today. 2002 Jan 1;7(1):64-70. doi: 10.1016/s1359-6446(01)02091-8.

Abstract

Recent advances in high-throughput protein structure determination and in computational chemistry have refocused attention on virtual screening and fast automated docking methods. This review provides a brief introduction to the basic ideas and outlines computational tools currently used. We also provide several examples of where virtual screening has proved successful, highlighting the usefulness of the approach.

Publication types

  • Review

MeSH terms

  • Combinatorial Chemistry Techniques / methods*
  • Drug Design
  • Drug Evaluation, Preclinical
  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology
  • Humans
  • Molecular Conformation
  • Topoisomerase II Inhibitors

Substances

  • Enzyme Inhibitors
  • Topoisomerase II Inhibitors