Computational Aspects of High-Throughput Screening planning and analysis - Heidelberg, Germany
This course is aimed at academic, not-for-profit, and industrial researchers who need to perform high-throughput screens (HTS) of small molecule compounds and then analyse the data that these screens generate. Using a combination of lectures, discussions and computer-based practical sessions, you will learn how to use computational tools for the design, refinement and analysis of high-throughput screen data.
What will I learn?
By the end of this course you will be able to:
- Use open-access resources of public screening data for analysis
- Search databases of commercially available compounds to build or complement a compound library
- Use open-access resources to select likely bioactive compounds to perform pre-screen target selection and analysis
- Select appropriate compound library subsets using a range of virtual screening techniques
- Understand the principles of quality control in high-throughput screening and the statistical methods used in quality assessment of screening results
- Analyse data from high-throughput screens
- Use the results of your data analysis to select preferred hits for confirmatory follow up
- Design follow-on experiments to confirm activity and initial structure-relationship properties
- Perform in silico profiling of hits to understand likely additional bioactivity
|Day 1 - Monday, 14 October 2013|
|12:00||Registration & Lunch|
|13:30||Welcome and determining expectations||Tom Hancocks|
|14:00||Introduction to ChEMBL||John Overington|
|14:30||Applying ChEMBL in target analysis – practical session||John Overington, Anne Hersey, Jon Chambers|
|16:00||Potential and applications of ZINC – practical session||John Irwin|
|17:30||Delegate poster session|
|18:30||Evening meal at EMBL|
|Day 2 - Tuesday, 15 October 2013|
|09:00||Navigation in Chemistry Space towards Biological Activity||Peter Ertl|
|09:30||Chemical representation and “hit-likeness”||George Papadatos|
|11:00||Designing focused libraries||Steffen Renner, George Papadatos|
|11:30||Library design – practical session||Steffen Renner, George Papadatos|
|13:30||Virtual screening||Anna Linusson|
|14:15||Assay validation, performance and quality control||David Murray|
|15:30||Screening work flow||Joe Lewis|
|16:30||Tour of chemical biology facilities at EMBL-Heidelberg|
|17:00||Transport to Heidelberg Town Centre|
|19:00||Course dinner in Heidelberg|
|Day 3 - Wednesday, 16 October 2013|
|09:30||Analysis of screening data||Rajarshi Guha, John Irwin|
|09:30||Data analysis – practical session||Rajarshi Guha, John Irwin|
|11:30||Shaping a Screening File for Effective Lead Discovery: New Concepts||Jeremy Everett|
|13:30||Close of course|
Registration for this event is now live
Please note the application deadline: 25 July 2013.
The course is limited to 30 participants. For selection purposes, as part of your registration, you will be requested to submit a letter of motivation (Details: left side menu - 'Motivation Letter Submission'). Please note that your application will not be considered without a motivation letter.
The registration fee includes:
Admission to the course, course materials, meals and coffee breaks.
Confirmation and Payment
The registration fee should be paid only after acceptance to the course. The results will be announced approximately 2 weeks after the registration deadline.
NO visa letters will be issued until payment of the registration fee is confirmed.
For more inquiries about registration you can also check the participant FAQ page.
Full information about this event can be found here: http://www.embl.de/training/events/2013/CHI13-01/participants/index.html