Data to knowledge: how to get meaning from your result
Helen M. Berman,
Margaret J. Gabanyi,
Colin R. Groom,
John E. Johnson,
Garib N. Murshudov,
Robert A. Nicholls,
Vijay Reddy,
Torsten Schwede,
Matthew D. Zimmerman,
John Westbrook,
Wladek Minor
Affiliations
Helen M. Berman
Center for Integrative Proteomics Research, Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, Piscataway, NJ 08854, USA
Margaret J. Gabanyi
Center for Integrative Proteomics Research, Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, Piscataway, NJ 08854, USA
Colin R. Groom
Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, England
John E. Johnson
Department of Integrative Structural and Computational Biology, Scripps Research Institute, La Jolla, CA 92037, USA
Garib N. Murshudov
MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH, England
Robert A. Nicholls
MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH, England
Vijay Reddy
Department of Integrative Structural and Computational Biology, Scripps Research Institute, La Jolla, CA 92037, USA
Torsten Schwede
Biozentrum, University of Basel, Klingelbergstrasse 50-70, 4056 Basel, Switzerland
Matthew D. Zimmerman
Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, VA 22908, USA
John Westbrook
Center for Integrative Proteomics Research, Department of Chemistry and Chemical Biology, Rutgers, State University of New Jersey, Piscataway, NJ 08854, USA
Wladek Minor
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.
