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A Grid Service-Based Virtual Screening System
- Authors
- Lee, Hwamin; Park, Doosoon
- Issue Date
- Feb-2014
- Publisher
- Oxford University Press
- Keywords
- virtual screening; grid service; DOCK
- Citation
- Computer Journal, v.57, no.2, pp 302 - 307
- Pages
- 6
- Journal Title
- Computer Journal
- Volume
- 57
- Number
- 2
- Start Page
- 302
- End Page
- 307
- ISSN
- 0010-4620
1460-2067
- Abstract
- Virtual screening is the process of reducing an unmanageable number of compounds to a limited number of compounds by means of docking. It is one of the large-scale scientific applications that require large computing power and data storage capability. Grid computing focuses on large-scale resource sharing, innovative applications and high-performance orientation. Thus we propose a service-based virtual screening system using Grid technology that supports a large computed and data-intensive operation. We constructed a three-dimensional chemical database and defined various services for virtual screening using XML and WSDL. And, we implemented a Grid service-based virtual screening system using DOCK 6.0.
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