Protein simulation data in the relational model

Abstract

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. © 2011 Springer Science+Business Media, LLC.