DocumentCode
2341801
Title
HIV protease structural database
Author
Ravichandran, V. ; Vondrasek, Jiri ; Gilliland, Gary ; Bhat, T.N. ; Wlodawer, Alexander
Author_Institution
Nat. Inst. of Stand. & Technol., Gaithersburg, MD, USA
fYear
2002
fDate
2002
Firstpage
340
Abstract
HIV Protease Database (HIVdb) is a repository for those structures of HIV protease that have never been released or deposited to the Protein Data Bank (PDB). Together with the official PDB data, HIVdb provided a unique source of information in a statistical sense. The database contains 207 structures; 148 taken from PDB, and 59 that are unique entries in HIVdb. Query tools in terms of the creation of ensembles for statistical analysis were designed. We present a new form, location, tools and data form of the HIV Protease Database. The new tools utilize a standard PDB user interface, but provide extra capabilities connected exclusively with this one protein and its ligands. We also present a design strategy for a specific subset or sub-database of the PDB with the aim of pointing out the statistical dimension of the problem related to a single protein structure. We are currently annotating the ligands in order to include their chemical properties. This approach emphasises large scale databases and scalability.
Keywords
biology computing; molecular biophysics; molecular configurations; proteins; scientific information systems; very large databases; 3D structures; HIV protease structural database; large scale database; scalability; statistical analysis; user interface; Biochemistry; Cancer; Databases; Drugs; Human immunodeficiency virus; Immune system; Information resources; Inhibitors; Proteins; Statistical analysis;
fLanguage
English
Publisher
ieee
Conference_Titel
Bioinformatics Conference, 2002. Proceedings. IEEE Computer Society
Print_ISBN
0-7695-1653-X
Type
conf
DOI
10.1109/CSB.2002.1039363
Filename
1039363
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