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Data to knowledge: how to get meaning from your result

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      Abstract

      This paper presents a variety of techniques and technologies aimed at the transformation of crystallographic data into information and knowledge.

      Abstract

      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.

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

      These authors gave a presentation on this topic at the 23rd Congress and General Assembly of the IUCr and are listed alphabetically.

      Journal
      IUCrJ
      IUCrJ
      IUCrJ
      IUCrJ
      International Union of Crystallography
      2052-2525
      01 January 2015
      01 January 2015
      01 January 2015
      : 2
      : Pt 1 ( publisher-idID: m150100 )
      : 45-58
      4285880 dc5004 10.1107/S2052252514023306 IUCRAJ S2052252514023306
      © Helen M. Berman et al. 2015

      This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

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