Design and Deployment of High Throughput in silico Docking on Grid Infrastructure
This course is being held prior to the Virtual Discovery conference.
The course tutor will be Dr Nicolas Jacq, PhD, HealthGrid, France.
Who should attend?
The course is intended for scientists, engineers and PhD students working within the pharmaceutical and biotechnology industry or academia. The course is designed for anyone interested in learning about grid technology, the benefits it provides in drug discovery and the steps in the deployment of applications on a grid infrastructure. A particular focus will be placed upon high throughput virtual screening by in silico docking.
Learning Objectives
- Learn about the grid, a new Information Technology
- Find out about the real performance of the grid by analysing several use cases from industry and academia (drug discovery, epidemiology…)
- Become familiar with the grid services of the gLite middleware (security, job submission, data management…)
- Learn how to design and deploy high throughput in silico docking on a cluster grid infrastructure
Course Topics and Organisation
|
13:00 |
Welcome and Introduction |
|
13:15 |
The Grid
- What is a grid? (definitions)
- Why the grid? (requirements)
- What kind of grid? (taxonomy)
- How does the grid work? (drug discovery use cases) |
|
14:15 |
A Grid (1/2)
- The EGEE project
- The gLite middleware
- Security
- Job submission |
|
15:00 |
Coffee Break |
|
15:30 |
A Grid (2/2)
- Data management
- Information system
- Other tools |
|
16:00 |
My Grid
- High throughput in silico docking on grid infrastructure
- Designing the application for the grid
- Deployment of the application on the grid |
|
16:45 |
Course Review and Evaluation |
|
17:00 |
Closing the Course |