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Title: Northwest Trajectory Analysis Capability: A Platform for Enhancing Computational Biophysics Analysis

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.

Authors:
; ; ; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
971901
Report Number(s):
PNNL-SA-70758
KJ0101030; TRN: US201004%%224
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Conference
Resource Relation:
Conference: Proceedings of the 2008 International Conference on Bioinformatics and Computational Biology, BIOCOMP 2008, 558-562
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICAL METHODS AND COMPUTING; 99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; BIOPHYSICS; COMPUTERIZED SIMULATION; N CODES; DATA ANALYSIS

Citation Formats

Peterson, Elena S, Stephan, Eric G, Corrigan, Abigail L, Lins, Roberto D, Soares, Thereza A, Scarberry, Randall E, Rose, Stuart J, Williams, Leigh K, Lai, Canhai, Critchlow, Terence J, and Straatsma, TP. Northwest Trajectory Analysis Capability: A Platform for Enhancing Computational Biophysics Analysis. United States: N. p., 2008. Web.
Peterson, Elena S, Stephan, Eric G, Corrigan, Abigail L, Lins, Roberto D, Soares, Thereza A, Scarberry, Randall E, Rose, Stuart J, Williams, Leigh K, Lai, Canhai, Critchlow, Terence J, & Straatsma, TP. Northwest Trajectory Analysis Capability: A Platform for Enhancing Computational Biophysics Analysis. United States.
Peterson, Elena S, Stephan, Eric G, Corrigan, Abigail L, Lins, Roberto D, Soares, Thereza A, Scarberry, Randall E, Rose, Stuart J, Williams, Leigh K, Lai, Canhai, Critchlow, Terence J, and Straatsma, TP. 2008. "Northwest Trajectory Analysis Capability: A Platform for Enhancing Computational Biophysics Analysis". United States.
@article{osti_971901,
title = {Northwest Trajectory Analysis Capability: A Platform for Enhancing Computational Biophysics Analysis},
author = {Peterson, Elena S and Stephan, Eric G and Corrigan, Abigail L and Lins, Roberto D and Soares, Thereza A and Scarberry, Randall E and Rose, Stuart J and Williams, Leigh K and Lai, Canhai and Critchlow, Terence J and Straatsma, TP},
abstractNote = {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.},
doi = {},
url = {https://www.osti.gov/biblio/971901}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 30 00:00:00 EDT 2008},
month = {Wed Jul 30 00:00:00 EDT 2008}
}

Conference:
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