Protein simulation data in the relational model

High performance computing is leading to unprecedented volumes of data. Relational databases offer a robust and scalable model for storing and analyzing scientific data. However, these features do not come without a cost—significant design effort is required to build a functional and efficient repos...

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Bibliographic Details
Published in:The Journal of supercomputing 2012-10, Vol.62 (1), p.150-173
Main Authors: Simms, Andrew M., Daggett, Valerie
Format: Article
Language:English
Subjects:
Compilers
Computer Science
Interpreters
Processor Architectures
Programming Languages
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Summary:High performance computing is leading to unprecedented volumes of data. Relational databases offer a robust and scalable model for storing and analyzing scientific data. However, these features do not come without a cost—significant design effort is required to build a functional and efficient repository. Modeling protein simulation data in a relational database presents several challenges: The data captured from individual simulations are large, multidimensional, and must integrate with both simulation software and external data sites. Here, we present the dimensional design and relational implementation of a comprehensive data warehouse for storing and analyzing molecular dynamics simulations using SQL Server.
ISSN:0920-8542
1573-0484
DOI:10.1007/s11227-011-0692-3