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CREDO: a structural interactomics database for drug discovery.


ABSTRACT: 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.

SUBMITTER: Schreyer AM 

PROVIDER: S-EPMC3715132 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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CREDO: a structural interactomics database for drug discovery.

Schreyer Adrian M AM   Blundell Tom L TL  

Database : the journal of biological databases and curation 20130718


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 ac  ...[more]

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