Unit

UNIT 14.6 Using ZINC to Acquire a Virtual Screening Library

  1. John J. Irwin

Published Online: 1 JUN 2008

DOI: 10.1002/0471250953.bi1406s22

Current Protocols in Bioinformatics

Current Protocols in Bioinformatics

How to Cite

Irwin, J. J. 2008. Using ZINC to Acquire a Virtual Screening Library. Current Protocols in Bioinformatics. 22:14.6:14.6.1–14.6.23.

Author Information

  1. University of California San Francisco, San Francisco, California

Publication History

  1. Published Online: 1 JUN 2008
  2. Published Print: JUN 2008

Abstract

The ZINC database of commercially available compounds contains biologically relevant representations of purchasable compounds in ready-to-screen formats. ZINC uses catalogs from over 50 compound vendors, changing from time to time to reflect newly available compounds and depleted stock. ZINC is available in subsets that reflect current opinion in the field such as “fragment-like” and “lead-like,” and has a facility to create additional small ad hoc subsets. ZINC has a search facility, as well as a service to process molecules that are not in ZINC by uploading them to a server. Curr. Protoc. Bioinform. 22:14.6.1–14.6.23. © 2008 by John Wiley & Sons, Inc.

Keywords:

  • virtual screening;
  • molecular docking;
  • ligand discovery;
  • small molecule libraries