Molecular structure determination on a computational and data grid

Mark L. Green; Russ Miller

doi:10.1016/j.parco.2004.07.008

Molecular structure determination on a computational and data grid

Mark L. Green
, Russ Miller

Department of Computer Science and Engineering

SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

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.

Original language	English
Pages (from-to)	1001-1017
Number of pages	17
Journal	Parallel Computing
Volume	30
Issue number	9-10
DOIs	https://doi.org/10.1016/j.parco.2004.07.008
State	Published - 2004

Keywords

ACDC Grid
Computational Grids
Data Grids
Grid2003
Molecular structure
Shake-and-Bake
Structure determination

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10.1016/j.parco.2004.07.008

Cite this

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AB - 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.

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KW - Computational Grids

KW - Data Grids

KW - Grid2003

KW - Molecular structure

KW - Shake-and-Bake

KW - Structure determination

UR - https://www.scopus.com/pages/publications/7444237663

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JO - Parallel Computing

JF - Parallel Computing

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Molecular structure determination on a computational and data grid

Abstract

Keywords

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