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Overhauling the PDB

The Brookhaven Protein Data Bank was once a pioneering database, but its organization of structural data is now outdated and in need of an upgrade.

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Figure 5: Building a data model for mmCIF category CHEM_COMP.
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Acknowledgements

We would like to thank Alexei Adzhubei. The work was funded by the Framework 6 IQ project (516169) and Biotechnology and Biological Sciences Research Council (Project 2/BEP17028).

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Schierz, A., Soldatova, L. & King, R. Overhauling the PDB. Nat Biotechnol 25, 437–442 (2007). https://doi.org/10.1038/nbt0407-437

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