Molecular structure determination on a computational and data grid

Authors:
Mark L. Green;Russ Miller
Affiliations:
Department of Computer Science and Engineering, Center for Computational Research, State University of New York, Buffalo, NY;Department of Computer Science and Engineering, Center for Computational Research, State University of New York, Buffalo, NY
Venue:
Parallel Computing - Special issue: High-performance parallel bio-computing
Year:
2004

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Abstract

The focus of this paper is on the design and implementation of a critical program in structural biology onto two computational and data grids. The first is the Buffalo-based ACDC grid, which uses facilities at several research institutions in Western New York. The second is Grid2003, the iVDGL grid established late in 2003 primarily for physics and astronomy applications. In this paper, we present an overview of the ACDC Grid and Grid2003, focusing on the implementation of several new ACDC computational and grid tools.