ZINC: A Free Tool to Discover Chemistry for Biology

[Image: see text] ZINC is a free public resource for ligand discovery. The database contains over twenty million commercially available molecules in biologically relevant representations that may be downloaded in popular ready-to-dock formats and subsets. The Web site also enables searches by struct...

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Autores principales: Irwin, John J., Sterling, Teague, Mysinger, Michael M., Bolstad, Erin S., Coleman, Ryan G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2012
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3402020/
https://www.ncbi.nlm.nih.gov/pubmed/22587354
http://dx.doi.org/10.1021/ci3001277
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author Irwin, John J.
Sterling, Teague
Mysinger, Michael M.
Bolstad, Erin S.
Coleman, Ryan G.
author_facet Irwin, John J.
Sterling, Teague
Mysinger, Michael M.
Bolstad, Erin S.
Coleman, Ryan G.
author_sort Irwin, John J.
collection PubMed
description [Image: see text] ZINC is a free public resource for ligand discovery. The database contains over twenty million commercially available molecules in biologically relevant representations that may be downloaded in popular ready-to-dock formats and subsets. The Web site also enables searches by structure, biological activity, physical property, vendor, catalog number, name, and CAS number. Small custom subsets may be created, edited, shared, docked, downloaded, and conveyed to a vendor for purchase. The database is maintained and curated for a high purchasing success rate and is freely available at zinc.docking.org.
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spelling pubmed-34020202012-07-23 ZINC: A Free Tool to Discover Chemistry for Biology Irwin, John J. Sterling, Teague Mysinger, Michael M. Bolstad, Erin S. Coleman, Ryan G. J Chem Inf Model [Image: see text] ZINC is a free public resource for ligand discovery. The database contains over twenty million commercially available molecules in biologically relevant representations that may be downloaded in popular ready-to-dock formats and subsets. The Web site also enables searches by structure, biological activity, physical property, vendor, catalog number, name, and CAS number. Small custom subsets may be created, edited, shared, docked, downloaded, and conveyed to a vendor for purchase. The database is maintained and curated for a high purchasing success rate and is freely available at zinc.docking.org. American Chemical Society 2012-05-15 2012-07-23 /pmc/articles/PMC3402020/ /pubmed/22587354 http://dx.doi.org/10.1021/ci3001277 Text en Copyright © 2012 American Chemical Society http://pubs.acs.org This is an open-access article distributed under the ACS AuthorChoice Terms & Conditions. Any use of this article, must conform to the terms of that license which are available at http://pubs.acs.org.
spellingShingle Irwin, John J.
Sterling, Teague
Mysinger, Michael M.
Bolstad, Erin S.
Coleman, Ryan G.
ZINC: A Free Tool to Discover Chemistry for Biology
title ZINC: A Free Tool to Discover Chemistry for Biology
title_full ZINC: A Free Tool to Discover Chemistry for Biology
title_fullStr ZINC: A Free Tool to Discover Chemistry for Biology
title_full_unstemmed ZINC: A Free Tool to Discover Chemistry for Biology
title_short ZINC: A Free Tool to Discover Chemistry for Biology
title_sort zinc: a free tool to discover chemistry for biology
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3402020/
https://www.ncbi.nlm.nih.gov/pubmed/22587354
http://dx.doi.org/10.1021/ci3001277
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