Joint EMBL-EBI/Wellcome Trust Course: Resources for Computational Drug Discovery


  Monday 2 July 2012


European Bioinformatics Institute (EMBL-EBI) - Wellcome Genome Campus, Hinxton, Cambridge,  CB10 1SD, United Kingdom

Application deadline: 

Monday 07 May 2012

Registration closed


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

Additional information

Scientific Programme Committee

John Overington, EMBL-EBI, UK
Anne Hersey, EMBL-EBI, UK
Vicky Schneider, EMBL-EBI, UK
James Watson, EMBL-EBI, UK



Time Topic
Day 1 - 2 July 2012
12:00 Registration with coffee
13:00 Welcome & Overview
14:30 Perspectives and Challenges for Drug Discovery
15:30 Afternoon Tea
16:00 Delegate presentations “About you, your interests and expectations” with all available course faculty
18:00 Poster session with cheese and wine reception
19:00 Dinner
Day 2 - 3 July 2012
09:00 Overview of publicly available bioactivity databases
10:30 Morning coffee
11:00 Publicly available databases cont (demos and hands on exercises using the databases)
12:30 Lunch
13:30 Publicly available databases cont (demos and hands on exercises using the databases)
15:00 Afternoon tea
15:30 Lecture(s)/demos on other related Resources (UniProt, reactome)
16:30 Discussion with participants on their experience of using databases
19:00 Dinner
Day 3 - 4 July 2012
09:00 Druggable genome - Methodological Lecture
10:00 Protein Families – Methodological Lecture
10:30 Morning coffee
11:00 Hands on use of computational biology methods
12:30 Lunch
13:30 Computational biology methods in drug discovery
15:30 Afternoon tea
16:00 Hands on use of computational biology methods
19:00 Dinner
Day 4 - 5 July 2012
09:00 Methodological Lecture(s) on Structure based drug  design/ Pharmacophore modeling
10:30 Morning coffee
11:00 Demos/Hands On use of these methods using freely available tools
12:30 Lunch
13:30 Methodological Lecture on Chemiformatics methods for compound design
15:.30 Afternoon tea
16:00 Demos/Hands On use of these methods using freely available tools
18:00 Recap the day and discussion
19:00 Dinner
Day 5 - 6 July 2012
09:00 Strategies for Drug reuse and repositioning
10:30 Morning coffee
11:00 hands on – opportunity for participants to work with trainers on their own data on any aspects covered in course
12:30 Lunch
13:30 Feedback collection and farewell
14:00 Course closes

For further information regarding this event and to view the programme, please click on the --> registration link