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Theses

In silico drug discovery services in computing grid environments against neglected and emerging infectious diseases

Abstract : Computing grids are a new Information Technology offering unprecedented opportunities for collecting and sharing information, networking experts and mobilizing resources routinely or in an emergency. Grids open new perspectives to in silico drug discovery for the reduction of costs and the acceleration of research against neglected and emerging infectious diseases. In this context, the first part of the thesis focuses on the conception of bio-informatics services in the framework of the RUGBI grid which carry out the software and database deployment and update on grid resources. The second part focuses on the deployment of high throughput virtual screening by docking in the framework of the EGEE grid. The experiments demonstrated how collaborative grids have a tremendous capacity to mobilize very large CPU resources for well targeted goals during a significant period of time and that they can be used for producing relevant biological results in the drug discovery process.
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https://tel.archives-ouvertes.fr/tel-00184482
Contributor : Jeanine Pellet <>
Submitted on : Wednesday, October 31, 2007 - 10:25:02 AM
Last modification on : Thursday, February 25, 2021 - 10:58:30 AM
Long-term archiving on: : Monday, April 12, 2010 - 1:03:43 AM

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  • HAL Id : tel-00184482, version 1

Citation

N. Jacq. In silico drug discovery services in computing grid environments against neglected and emerging infectious diseases. Modeling and Simulation. Université Blaise Pascal - Clermont-Ferrand II, 2006. English. ⟨tel-00184482⟩

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