Protein Simulation Data in the Relational Model.

Protein Simulation Data in the Relational Model.
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关系模型中的蛋白质模拟数据。

DOI:
10.1007/s11227-011-0692-3
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发表时间:
2012
期刊:
The Journal of supercomputing
影响因子:
--
通讯作者:
Daggett,Valerie
Daggett,Valerie
中科院分区:
--
文献类型:
--
作者:
Simms,AndrewM;Daggett,Valerie

文献摘要

被引文献

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高性能计算正在产生前所未有的数据量。关系数据库为存储和分析科学数据提供了一个健壮且可伸缩的模型。然而,这些功能并不是没有成本显著的设计工作才能构建一个功能强大且高效的存储库。在关系数据库中对蛋白质模拟数据进行建模带来了几个挑战:从单个模拟中捕获的数据是大的、多维的,并且必须与模拟软件和外部数据站点集成。在这里,我们介绍了一个使用SQL Server存储和分析分子动力学模拟的综合数据仓库的维度设计和关系实现。
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.