Joint EMBL-EBI/Wellcome Trust Course: Resources for Computational Drug Discovery
This joint EBI-Wellcome Trust course aims to provide the participants with the principles of chemical biology and how to use computational methods to probe, explore and modulate biological systems using chemical tools. The course will be comprised of a mixture of lectures and hands-on components. The conceptual framework will be covered, as well as direct practical experience of retrieving and analysing chemogenomics data. Participants will be able to do their own target analysis and identify appropriate chemical tools for probing biological systems of interest to them.
Target audience and learning objectives
The interdisciplinary and interactive programme is ideal for both academics and industrial researchers interested in drug discovery, or for researchers looking to progress from basic functional genomics to translational research. Participants should have a degree in a biomedical discipline. No previous training in bioinformatics is required, but attendees should be comfortable with computers and Internet searching. The course will be highly interactive and will include problem solving sessions each day. Attendees are strongly encouraged to bring ideas for particular pieces of work to the addressed during these sessions.
- Knowledge of the content of publicly available bioactivity database and practical experience in using them to identify bioactive molecules and how to select appropriate molecules for screening.
- Knowledge and hand-on experience of computational chemistry and biology tools that can help them in compound design and evaluating targets.
- Experience of using these tools to do analysis on the compounds and targets of specific interest to them.
Please note: Places on this course are limited and will be awarded on merit. Applicants must attach a completed application form when registering. For further information regarding the registration/application process, please follow this link
• Concepts of computational drug discovery
• Publicly available databases and bioactivity resources
• Compound design and virtual screening to expand bioactive chemical space
• Selecting compounds to screen against novel targets and for target validation
• Strategies for drug re-use and repositioning
• Identification off-target effects by cross-reactivity analysis.
• Target analysis and use of genomic data for drug discovery
|Day 1 - 2 July 2012|
|12:00||Registration with coffee|
|13:00||Welcome & Overview|
|14:30||Perspectives and Challenges for Drug Discovery|
|16:00||Delegate presentations “About you, your interests and expectations” with all available course faculty|
|18:00||Poster session with cheese and wine reception|
|Day 2 - 3 July 2012|
|09:00||Overview of publicly available bioactivity databases|
|11:00||Publicly available databases cont (demos and hands on exercises using the databases)|
|13:30||Publicly available databases cont (demos and hands on exercises using the databases)|
|15:30||Lecture(s)/demos on other related Resources (UniProt, reactome)|
|16:30||Discussion with participants on their experience of using databases|
|Day 3 - 4 July 2012|
|09:00||Druggable genome - Methodological Lecture|
|10:00||Protein Families – Methodological Lecture|
|11:00||Hands on use of computational biology methods|
|13:30||Computational biology methods in drug discovery|
|16:00||Hands on use of computational biology methods|
|Day 4 - 5 July 2012|
|09:00||Methodological Lecture(s) on Structure based drug design/ Pharmacophore modeling|
|11:00||Demos/Hands On use of these methods using freely available tools|
|13:30||Methodological Lecture on Chemiformatics methods for compound design|
|16:00||Demos/Hands On use of these methods using freely available tools|
|18:00||Recap the day and discussion|
|Day 5 - 6 July 2012|
|09:00||Strategies for Drug reuse and repositioning|
|11:00||hands on – opportunity for participants to work with trainers on their own data on any aspects covered in course|
|13:30||Feedback collection and farewell|
For further information regarding this event and to view the programme, please click on the --> registration link
The course is subsidised by the Wellcome Trust and there is a registration fee of £500, which includes registration, meals and accommodation for the nights of the 2, 3, 4 and 5 July 2012.
Please note: Places on this course are limited and will be awarded on merit. Applicants must attach a completed application form in the 'Abstract Submission' section of online registration. The supervisor's section MUST be completed when the application form is attached. Registrations cannot be accepted without a completed application form.
Register> (Please remember to attach your completed application form during the "Abstract Submission").
If you require a letter of acceptance in order to obtain a travel Visa please email@example.com
To register, and for further information regarding this event, please click on the --> registration link
Scientific Programme Committee
John Overington, EMBL-EBI, UK
Anne Hersey, EMBL-EBI, UK
Vicky Schneider, EMBL-EBI, UK
James Watson, EMBL-EBI, UK