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pxGrid- High-Throughput Protein Structure Determination using Computational Grids

By Noel Faux, Mark Bate, Colin Enticott, Khalid Mahmood, David Abramson and Ashley M

Abstract

Structural biology research places significant demands upon high-performance computing. The elucidation of protein structures at atomic resolution is computationally demanding and requires user-friendly interfaces to high-performance computing resources. Fortunately, critical calculations are embarrassingly parallel and thus ideally suited to distributed computing. Here we discuss how we are using Grid computing to determine the three dimensional structures of proteins in a massively parallel fashion, in a timeframe of hours to days- orders of magnitude faster than is currently possible. 1

Year: 2013
OAI identifier: oai:CiteSeerX.psu:10.1.1.352.2451
Provided by: CiteSeerX
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