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An Extensible Database Management System for Large-Scale Virtual Screening

Virtual Screening (VS), most well-known method which can improve the efficiency greatly in drug discovery, involving millions of small molecules in the process with one target enzyme. As a data intensive application, how to store and access those ever-increasing data for the corresponding Grid jobs...

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Main Authors:	Chengda Yuan, Ruisheng Zhang, Ying Zhang, Zhili Zhao
Format:	Conference Proceeding
Language:	English
Subjects:	Data Allocation Data processing Distributed databases Extensible Memory Resource management Response Speed Servers Time factors Virtual Screening
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creator	Chengda Yuan Ruisheng Zhang Ying Zhang Zhili Zhao
description	Virtual Screening (VS), most well-known method which can improve the efficiency greatly in drug discovery, involving millions of small molecules in the process with one target enzyme. As a data intensive application, how to store and access those ever-increasing data for the corresponding Grid jobs running in parallel so as to improve the efficiency of VS has not been thoroughly explored. In this paper we proposed a data allocation strategy to cope with it. Besides, we implemented an extensible database management system for VS. The flexible data processing servers in data processing together with flexible DB servers in data storage are significant components for the system extensibility. At last, a comprehensive performance evaluation of the system is given.
doi_str_mv	10.1109/ChinaGrid.2011.32
format	conference_proceeding
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identifier	ISSN: 1949-131X
ispartof	2011 Sixth Annual Chinagrid Conference, 2011, p.97-101
issn	1949-131X 1949-1328
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recordid	cdi_ieee_primary_6051739
source	IEEE Electronic Library (IEL) Conference Proceedings
subjects	Data Allocation Data processing Distributed databases Extensible Memory Resource management Response Speed Servers Time factors Virtual Screening
title	An Extensible Database Management System for Large-Scale Virtual Screening
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