Northwest trajectory analysis capability: A platform for enhancing computational biophysics analysis

Elena S. Peterson, Eric G. Stephan, Abbie Corrigan, Roberto Lins, Thereza A. Soares, Randy Scarberry, Stuart Rose, Leigh Williams, Canhai Lai, Terence Critchlow, T. P. Straatsma

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

As computational resources continue to increase, the ability of computational simulations to effectively complement, and in some cases replace, experimentation in scientific exploration also increases. Today, large-scale simulations are recognized as an effective tool for scientific exploration in many disciplines including chemistry and biology. A natural side effect of this trend has been the need for an increasingly complex analytical environment. In this paper, we describe Northwest Trajectory Analysis Capability (NTRAC), an analytical software suite developed to enhance the efficiency of computational biophysics analyses. Our strategy is to layer higher-level services and introduce improved tools within the user's familiar environment without preventing researchers from using traditional tools and methods. Our desire is to share these experiences to serve as an example for effectively analyzing data intensive large scale simulation data.

Original languageEnglish
Title of host publicationProceedings of the 2008 International Conference on Bioinformatics and Computational Biology, BIOCOMP 2008
Pages558-562
Number of pages5
StatePublished - 2008
Externally publishedYes
Event2008 International Conference on Bioinformatics and Computational Biology, BIOCOMP 2008 - Las Vegas, NV, United States
Duration: Jul 14 2008Jul 17 2008

Publication series

NameProceedings of the 2008 International Conference on Bioinformatics and Computational Biology, BIOCOMP 2008

Conference

Conference2008 International Conference on Bioinformatics and Computational Biology, BIOCOMP 2008
Country/TerritoryUnited States
CityLas Vegas, NV
Period07/14/0807/17/08

Keywords

  • Computation biology software
  • Data intensive computing
  • Data management
  • Molecular dynamics

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