Title
GPU-Enabled Macromolecular Simulation: Challenges and Opportunities
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.
Year
DOI
Venue
2013
10.1109/MCSE.2012.42
Computing in Science and Engineering
Keywords
Field
DocType
biology computing,graphics processing units,macromolecules,mathematical analysis,GPU-enabled macromolecular simulation,atomistic macromolecular systems,realistic macromolecular systems,realistic mathematical models,GPU computing,biomacromolecular structure and function,molecular dynamics,scientific computing
Kernel (linear algebra),Computer science,Massively parallel,Theoretical computer science,Computational science,General-purpose computing on graphics processing units,Momentum,Mathematical model,Graphics processing unit
Journal
Volume
Issue
ISSN
15
1
1521-9615
Citations 
PageRank 
References 
7
0.59
5
Authors
3
Name
Order
Citations
PageRank
michela taufer135253.04
Narayan Ganesan2516.61
Sandeep Patel310712.96