Document Detail


3DSDSCAR--a three dimensional structural database for sialic acid-containing carbohydrates through molecular dynamics simulation.
MedLine Citation:
PMID:  20691432     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
The inherent flexibility and lack of strong intramolecular interactions of oligosaccharides demand the use of theoretical methods for their structural elucidation. In spite of the developments of theoretical methods, not much research on glycoinformatics is done so far when compared to bioinformatics research on proteins and nucleic acids. We have developed three dimensional structural database for a sialic acid-containing carbohydrates (3DSDSCAR). This is an open-access database that provides 3D structural models of a given sialic acid-containing carbohydrate. At present, 3DSDSCAR contains 60 conformational models, belonging to 14 different sialic acid-containing carbohydrates, deduced through 10 ns molecular dynamics (MD) simulations. The database is available at the URL: http://www.3dsdscar.org.
Authors:
Kasinadar Veluraja; Jeyasigamani F A Selvin; Selvakumar Venkateshwari; Thanu R K Priyadarzini
Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't     Date:  2010-07-08
Journal Detail:
Title:  Carbohydrate research     Volume:  345     ISSN:  1873-426X     ISO Abbreviation:  Carbohydr. Res.     Publication Date:  2010 Sep 
Date Detail:
Created Date:  2010-09-06     Completed Date:  2010-12-30     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0043535     Medline TA:  Carbohydr Res     Country:  Netherlands    
Other Details:
Languages:  eng     Pagination:  2030-7     Citation Subset:  IM    
Copyright Information:
Copyright 2010 Elsevier Ltd. All rights reserved.
Affiliation:
Department of Physics, Manonmaniam Sundaranar University, Tirunelveli 627 012, Tamilnadu, India. kvraja@sancharnet.in
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MeSH Terms
Descriptor/Qualifier:
Carbohydrate Conformation
Carbohydrates / chemistry*
Computational Biology
Databases, Factual*
Molecular Dynamics Simulation*
N-Acetylneuraminic Acid / chemistry*
Chemical
Reg. No./Substance:
0/Carbohydrates; 131-48-6/N-Acetylneuraminic Acid

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