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IUCrJ. 2015 Jan 1;2(Pt 1):45-58. doi: 10.1107/S2052252514023306. eCollection 2015 Jan 1.

Data to knowledge: how to get meaning from your result.

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Center for Integrative Proteomics Research, Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, Piscataway, NJ 08854, USA.
Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, England.
Department of Integrative Structural and Computational Biology, Scripps Research Institute, La Jolla, CA 92037, USA.
MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH, England.
Biozentrum, University of Basel, Klingelbergstrasse 50-70, 4056 Basel, Switzerland ; SIB-Swiss Institute of Bioinformatics, Basel, Switzerland.
Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, VA 22908, USA.


Structural and functional studies require the development of sophisticated 'Big Data' technologies and software to increase the knowledge derived and ensure reproducibility of the data. This paper presents summaries of the Structural Biology Knowledge Base, the VIPERdb Virus Structure Database, evaluation of homology modeling by the Protein Model Portal, the ProSMART tool for conformation-independent structure comparison, the LabDB 'super' laboratory information management system and the Cambridge Structural Database. These techniques and technologies represent important tools for the transformation of crystallographic data into knowledge and information, in an effort to address the problem of non-reproducibility of experimental results.


big data; data deposition; databases; knowledge bases; meaning from data

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