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DVSF: A Distributed System for Virtual Screening  

황석찬 (숭실대학교 컴퓨터학과)
최종선 (숭실대학교 컴퓨터학과)
이상근 (숭실대학교 컴퓨터학과)
임재훈 (숭실대학교 컴퓨터학과)
최재영 (숭실대학교 컴퓨터학부)
노경태 (숭실대학교 분자설계기술혁신센터)
이지수 (한국과학기술정보연구원 슈퍼컴퓨팅 연구실)
Abstract
As one of a new generation of industries, biotechnology is currently spotlighted, and is creating new research and industrial areas that can be readily combined with information technology. Among them, virtual screening is a method for new drug design which uses computer simulation to virtually design active drug candidates for special disease. In this paper, we present a distributed system for virtual screening, called DVSF(Distributed Virtual Screening Facilities). DVSF is designed and developed to perform virtual screening efficiently on logically distributed idle or strategic resources in a small or medium scale laboratory.
Keywords
Grid; Grid Middleware; Virtual Screening;
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1 G. M. Morris, D. S. Coodsell, R. S. Halliday, R. Huey, W. E. Hart, R. K. Belcw, and A. J. Olson, 'Automated Docking Using a Lamarckian Genetic Algorithm and Empirical Binding Free Energy Function,' Journal of Computational Chemistry, Vol.19, pp.1639-1662, 1998   DOI   ScienceOn
2 R. A. Lewis and A. R. Leach, J. Comput.-Aided Mol. Design, Vol.8, pp.467, 1994   DOI   ScienceOn
3 Ian Foster, Carl Kesselman. The Grid: Blueprint for a new Computing Infrastructure, Morgan Kaufmann Publishers. 1999
4 이상근, 황석찬, 최재영, '범용 그리드 데이타 시스템의 구현', 정보과학회 봄 학술발표논문집, 제 29권, 제 1호, pp619-621, 2002
5 H. Johner, L. Brown, F.-S. Henner, W. Reis,J. Westman, Understanding LDAP, http://www. redbooks.ibm.com/, 1998
6 임재훈, 황석찬, 최재영, '분산 환경을 위한 메타정보시스템의 구축', 정보과학회 봄 학술논문집, 제29권, 제 1호, pp.622-624, 2002
7 R. Buyya, D. Abramson, J. Giddy, 'Nimrod/G: An Architecture for a Resource Management and Scheduling System in a Global Computational Grid,' The 4th International Conference on High Performance Computing in Asia-Pacific Region, May 2000   DOI
8 AutoDock v3.0, http://www.scripps.edu/pub/olsonweb/autodock
9 Hugo Kubinyi, Gerd Folkers and Yvonne C. Martin, 3D QSAR in Drug Design, Kluwer/Escom, Vol.2, pp.355-380, 1998
10 B. Shoichet, D. Dodian, and I. Kuntz, 'Molecular Docking Using Shape Descriptors,' Journal of Computational chemistry, Vol.13, No.3, pp.380-397, 1992   DOI
11 ViewerLite, Http://www.accelrys.com/viewer
12 Foster, C. Kesselman, 'Globus: A Metacomputing Infrastructure Toolkit,' International Journal of Supercomputer Applications, Vol. 11, No.2, pp.115-128, 1997   DOI
13 J. Frey, T. Tannenbaum, I. Foster, M. Livny, and S. Tuecke, 'Condr-G: A Computation Mana-gement Agent for Multi-Institutional Grids,' Proceedings of the Tenth IEEE Symposium on High Performance Distributed Computing(HPDC10), 2001
14 R. Buyya, K. Branon, J. Giddy, D. Abramson, 'The Virtual Laboratory: A Toolset to Enable Distributed Molecular Modeling for Drug Design on the World Wide Grid,' The Journal of Concurrency and Computation: Practice and Experience, Wiley Press, 2002
15 Entropia, Fight AIDS at Home Project: A joint effort of Entropia and Scripps Research Institute, http://www.fightAIDSatHome.org/