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Application of InChI to curate, index, and query 3-D structures

  1. Author:
    Prasanna, M. D.
    Vondrasek, J.
    Wlodawer, A.
    Bhat, T. N.

  2. Author Address

    NIST, Div Biotechnol, Gaithersburg, MD 20899 USA. Acad Sci Czech Republ, Inst Organ Chem & Biochem, Prague, Czech Republic. NCI, Macromol Crystallog Lab, Frederick, MD 21701 USA Bhat, TN, NIST, Div Biotechnol, 100 Bur Dr, Gaithersburg, MD 20899 USA
    1. Year: 2005
    2. Date: JUL 1
  2. Journal: Proteins-Structure Function and Bioinformatics
    1. 60
    2. 1
    3. Pages: 1-4
  4. Type of Article: Article
  1. Abstract:

    The HIV structural database (HIVSDB) is a comprehensive collection of the structures of HIV protease, both of unliganded enzyme and of its inhibitor complexes. It contains abstracts and crystallographic data such as inhibitor and protein coordinates for 248 data sets, of which only 141 are from the Protein Data Bank (PDB). Efficient annotation, indexing, and querying of the inhibitor data is crucial for their effective use for technological and industrial applications. The application of IUPAC International Chemical Identifier (InChI) to index, curate, and query inhibitor structures HIVSDB is described. Published 2005 Wiley-Liss, Inc.*

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External Sources

  1. View record in Web of Science®
  2. WOS: 000229454200001

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