DocumentCode
8718
Title
GPU-Enabled Macromolecular Simulation: Challenges and Opportunities
Author
Taufer, Michela ; Ganesan, Narayan ; Patel, Surabhi
Author_Institution
Dept. of Comput. & Inf. Sci., Univ. of Delaware, Newark, DE, USA
Volume
15
Issue
1
fYear
2013
fDate
Jan.-Feb. 2013
Firstpage
56
Lastpage
65
Abstract
GPU-enabled simulation of fully atomistic macromolecular systems is rapidly gaining momentum, enabled by massive parallelism and the parallelizability of various components of the underlying algorithms and methodologies. Here, we consider key aspects required for obtaining realistic macromolecular systems specifically adapted to GPUs; these aspects include realistic mathematical models and valid simulations.
Keywords
biology computing; graphics processing units; macromolecules; mathematical analysis; GPU-enabled macromolecular simulation; atomistic macromolecular systems; realistic macromolecular systems; realistic mathematical models; Adaptation models; Biological system modeling; Computational modeling; Graphics processing unit; Lattices; Mathematical model; Scientific computing; GPU computing; biomacromolecular structure and function; molecular dynamics; scientific computing;
fLanguage
English
Journal_Title
Computing in Science & Engineering
Publisher
ieee
ISSN
1521-9615
Type
jour
DOI
10.1109/MCSE.2012.42
Filename
6180155
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