CREDO: a structural interactomics database for drug discovery

CREDO is a unique relational database storing all pairwise atomic interactions of inter- as well as intra-molecular contacts between small molecules and macromolecules found in experimentally determined structures from the Protein Data Bank. These interactions are integrated with further chemical an...

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Detalles Bibliográficos
Autores principales: Schreyer, Adrian M., Blundell, Tom L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2013
Materias:
Database Tool
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3715132/
https://www.ncbi.nlm.nih.gov/pubmed/23868908
http://dx.doi.org/10.1093/database/bat049
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author Schreyer, Adrian M.
Blundell, Tom L.
author_facet Schreyer, Adrian M.
Blundell, Tom L.
author_sort Schreyer, Adrian M.
collection PubMed
description CREDO is a unique relational database storing all pairwise atomic interactions of inter- as well as intra-molecular contacts between small molecules and macromolecules found in experimentally determined structures from the Protein Data Bank. These interactions are integrated with further chemical and biological data. The database implements useful data structures and algorithms such as cheminformatics routines to create a comprehensive analysis platform for drug discovery. The database can be accessed through a web-based interface, downloads of data sets and web services at http://www-cryst.bioc.cam.ac.uk/credo. Database URL: http://www-cryst.bioc.cam.ac.uk/credo
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spelling pubmed-37151322013-07-18 CREDO: a structural interactomics database for drug discovery Schreyer, Adrian M. Blundell, Tom L. Database (Oxford) Database Tool CREDO is a unique relational database storing all pairwise atomic interactions of inter- as well as intra-molecular contacts between small molecules and macromolecules found in experimentally determined structures from the Protein Data Bank. These interactions are integrated with further chemical and biological data. The database implements useful data structures and algorithms such as cheminformatics routines to create a comprehensive analysis platform for drug discovery. The database can be accessed through a web-based interface, downloads of data sets and web services at http://www-cryst.bioc.cam.ac.uk/credo. Database URL: http://www-cryst.bioc.cam.ac.uk/credo Oxford University Press 2013-07-18 /pmc/articles/PMC3715132/ /pubmed/23868908 http://dx.doi.org/10.1093/database/bat049 Text en © The Author(s) 2013. Published by Oxford University Press. http://creativecommons.org/licenses/by/3.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Database Tool
Schreyer, Adrian M.
Blundell, Tom L.
CREDO: a structural interactomics database for drug discovery
title CREDO: a structural interactomics database for drug discovery
title_full CREDO: a structural interactomics database for drug discovery
title_fullStr CREDO: a structural interactomics database for drug discovery
title_full_unstemmed CREDO: a structural interactomics database for drug discovery
title_short CREDO: a structural interactomics database for drug discovery
title_sort credo: a structural interactomics database for drug discovery
topic Database Tool
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3715132/
https://www.ncbi.nlm.nih.gov/pubmed/23868908
http://dx.doi.org/10.1093/database/bat049
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AT blundelltoml credoastructuralinteractomicsdatabasefordrugdiscovery

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