Abstract
This paper describes the development of an in silico virtual screening application on Taiwan Unigrid. In silico virtual screening is one of the most promising approach to accelerate the drug development process. This pilot application implementation demonstrates the power of grid, which provides reliable service via shared computing resources. This development illustrates not only a new collaboration pattern to challenge difficult research topics, but also a promising perspective for developing future grid infrastructure.
This is a preview of subscription content, log in via an institution.
Buying options
Tax calculation will be finalised at checkout
Purchases are for personal use only
Learn about institutional subscriptionsPreview
Unable to display preview. Download preview PDF.
References
Jacq, N., et al.: Grid as a bioinformatics tool. In: Parallel Computing 30, pp. 1093–1107. Elsevier, Amsterdam (2004)
Campana, S., et al.: Analysis of the atlas rome production experience on the lhc computing grid. In: IEEE International Conference on e-Science and Grid Computing (2005)
Rueden, W.V., Mondardini, R.: The Large Hadron Collider (LHC) Data Challenge. IEEE Technical Committee on Scalable Computing (2003)
Lyne: Structure-based virtual screening:an overview. In: Drug Discov. Today 7, Elsevier, Amsterdam (2002)
Nwaka, S., Ridley, R.G.: Virtual drug discovery and development for neglected diseases through public-private partnerships. In: Nat. Rev. Drug Discov. 2, pp. 919–928. Elsevier, Amsterdam (2003)
Chien, A., et al.: Grid technologies empowering drug discovery. In: Drug Discov. Today 7, pp. 176–180. Elsevier, Amsterdam (2002)
ADT: AutoDock docking tools, http://autodock.scripps.edu
Taiwan Unigrid: Taiwan Unigrid Project, http://www.unigrid.org.tw
The Globus Alliance: Globus Toolkit, http://www.globus.org
SRB: Storage Resource Broker, http://www.sdsc.edu/srb/index.php
Spencer, R.W.: Highthroughput virtual screeing of historic collection on the file size, biological targets, and file diversity. In: Biotechnology and bioengineering, pp. 61–67. Wiley, Chichester (1998)
Morris, G.M., et al.: Automated docking using a lamarckian genetic algorithm and empirical binding free energy function. J. Computational Chemistry 19, 1639–1662 (1998)
Freitag, S., Trong, I.L., Klumb, L., Stayton, P., Stenkamp, R.: Structural studies of the streptavidin binding loop. Protein Sci. 6, 1157–1166 (1997)
Russell, R., Haire, L., Stevens, D., Collins, P., Lin, Y., Blackburn, G., Hay, A., Gamblin, S., Skehel, J.: Structural biology: antiviral drugs fit for a purpose. Nature 443, 37–38 (2006)
LCG2: LCG-2 middleware overview, https://edms.cern.ch/file/498079/0.1/LCG-mw.pdf
Author information
Authors and Affiliations
Editor information
Rights and permissions
Copyright information
© 2008 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Ho, LY., Liu, P., Wang, CM., Wu, JJ. (2008). The Development of a Drug Discovery Virtual Screening Application on Taiwan Unigrid. In: Wu, S., Yang, L.T., Xu, T.L. (eds) Advances in Grid and Pervasive Computing. GPC 2008. Lecture Notes in Computer Science, vol 5036. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-68083-3_7
Download citation
DOI: https://doi.org/10.1007/978-3-540-68083-3_7
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-68081-9
Online ISBN: 978-3-540-68083-3
eBook Packages: Computer ScienceComputer Science (R0)