Course outside EMBL-EBI
CABANA Workshop: Resources and tools for target identification and drug discovery
In this course, participants will learn the necessary theoretical background and basic tools of molecular target identification in pathogens and building of compound libraries for virtual screening. We also will introduce general concepts of molecular docking simulations.
Who is this course for?
This course is for biological researchers who want to learn more about the application of structural information in their work and how to use some of the key bioinformatics resources that are available.
Prerequisites
No previous experience in the field of structural bioinformatics is required, however a basic knowledge of protein structure would be of benefit.
Participants should be familiar with basic Linux operations - http://www.ee.surrey.ac.uk/Teaching/Unix/ - and have some experience of bioinformatics tools and databases.
Important: We strongly recommend participants bring their own laptop with Linux OS for the course.
Please also note: this course will be taught in Spanish, however the trainers are fluent in English and can offer language support where feasible.
A number of travel fellowships are available for this course - early-stage researchers and researchers from underrepresented groups are especially encouraged to apply for CABANA travel fellowships. You can apply for travel fellowships via the course application form.
What will I learn?
Learning outcomes
After this course you should be able to:
- Describe how protein structure and molecular docking information can be applied to studies
- Use the PDBe protein structure database
- Identify potential protein targets using Target Pathogens
- Build compound library using LigQ web server
Course content
During this course you will learn about:
- Protein structure databases (PDBe)
- Introduction to protein structure interpretation and docking
- Protein target identification using Target Pathogens (http://target.sbg.qb.fcen.uba.ar/patho/)
- Homology modeling using Modeller
- Binding site identification using FPocket
- Compound library building using LigQ web server
Trainers
Ezequiel Sosa
Universidad de Buenos Aires, Argentina Carlos Modenutti
FCEN-UBA, Argentina Marcelo Gamarra
FCEN-UBA, Argentina Juan Blanco
FCEN-UBA, Argentina Maria Bernardi
FCEN-UBA, Argentina
Programme
Day 1 – Wednesday 6 November 2019
08:00-09:00
Arrival, registration
09:00-10:00
Introduction to Next-Generation Sequencing (NGS)
Ezequiel Sosa
10:00-11:00
Introduction to protein structure databases
Ezequiel Sosa / Carlos Modenutti
11:00-11:30
Coffee break
11:30-13:00
Introduction to protein target identification in pathogens
Ezequiel Sosa
13:00-14:00
Lunch
14:00-15:30
Protein target identification using Target Pathogens web server part 1
Ezequiel Sosa / Carlos Modenutti / Maria Bernardi
15:30-16:00
Coffee break
16:00-17:30
Protein target identification using Target Pathogens web server part 2
Juan Blanco / Marcelo Gamarra / Maria Bernardi
17:30
End of day 1
Day 2 – Thursday 7 November 2019
09:00-10:00
Introduction to Homology Modeling
Juan Blanco
10:00-11:00
Introduction to Binding Site identification
Ezequiel Sosa
11:00-11:30
Coffee break
11:30-13:00
Compounds databases and compounds library building
Carlos Modenutti
13:00-14:00
Lunch
14:00-15:30
Homology modeling using Modeller and Binding Site identification using FPocket
Juan Blanco / Marcelo Gamarra / Maria Bernardi
15:30-16:00
Coffee break
16:00-17:30
Compound library building using LigQ web server
Ezequiel Sosa / Marcelo Gamarra / Maria Bernardi
17:30
End of day 2
Day 3 – Friday 8 November 2019
09:00-10:00
Introduction to molecular docking
Juan Blanco
10:00-11:00
Introduction to Solvent Site Biased Docking method
Juan Blanco / Carlos Modenutti
11:00-11:30
Coffee break
11:30-13:00
Introduction to Virtual Screening
Carlos Modenutti
13:00-14:00
Lunch
14:00-16:00
Molecular Docking using Autodock4 and Autodock Vina
Juan Blanco / Marcelo Gamarra / Maria Bernardi
16:00-16:30
Coffee break
16:30-17:30
Course close and feedback
Course organizers
17:30
End of course
In order to be considered for a place on this course applicants must complete the online application form.
Incomplete applications will NOT be considered.
If you have any queries about the registration process please email Guilherme Oliveira and Piv Gopalasingam.
Please note that the registration fee of $1200 ARS covers:
- Lunch and refreshment breaks
- Course materials
- Course dinner on Friday 8 November
There will be a maximum of 26 participants on this course and registration is dependent on selection after successful completion of the application process.
Universidad de Buenos Aires, Argentina
FCEN-UBA, Argentina
FCEN-UBA, Argentina
FCEN-UBA, Argentina
FCEN-UBA, Argentina
Programme
Day 1 – Wednesday 6 November 2019 |
||
---|---|---|
08:00-09:00 | Arrival, registration | |
09:00-10:00 | Introduction to Next-Generation Sequencing (NGS) | Ezequiel Sosa |
10:00-11:00 | Introduction to protein structure databases | Ezequiel Sosa / Carlos Modenutti |
11:00-11:30 | Coffee break | |
11:30-13:00 | Introduction to protein target identification in pathogens | Ezequiel Sosa |
13:00-14:00 | Lunch | |
14:00-15:30 | Protein target identification using Target Pathogens web server part 1 | Ezequiel Sosa / Carlos Modenutti / Maria Bernardi |
15:30-16:00 | Coffee break | |
16:00-17:30 | Protein target identification using Target Pathogens web server part 2 | Juan Blanco / Marcelo Gamarra / Maria Bernardi |
17:30 | End of day 1 |
Day 2 – Thursday 7 November 2019 |
||
---|---|---|
09:00-10:00 | Introduction to Homology Modeling | Juan Blanco |
10:00-11:00 | Introduction to Binding Site identification | Ezequiel Sosa |
11:00-11:30 | Coffee break | |
11:30-13:00 | Compounds databases and compounds library building | Carlos Modenutti |
13:00-14:00 | Lunch | |
14:00-15:30 | Homology modeling using Modeller and Binding Site identification using FPocket | Juan Blanco / Marcelo Gamarra / Maria Bernardi |
15:30-16:00 | Coffee break | |
16:00-17:30 | Compound library building using LigQ web server | Ezequiel Sosa / Marcelo Gamarra / Maria Bernardi |
17:30 | End of day 2 | |
Day 3 – Friday 8 November 2019 |
||
09:00-10:00 | Introduction to molecular docking | Juan Blanco |
10:00-11:00 | Introduction to Solvent Site Biased Docking method | Juan Blanco / Carlos Modenutti |
11:00-11:30 | Coffee break | |
11:30-13:00 | Introduction to Virtual Screening | Carlos Modenutti |
13:00-14:00 | Lunch | |
14:00-16:00 | Molecular Docking using Autodock4 and Autodock Vina | Juan Blanco / Marcelo Gamarra / Maria Bernardi |
16:00-16:30 | Coffee break | |
16:30-17:30 | Course close and feedback | Course organizers |
17:30 | End of course |
In order to be considered for a place on this course applicants must complete the online application form.
Incomplete applications will NOT be considered.
If you have any queries about the registration process please email Guilherme Oliveira and Piv Gopalasingam.
Please note that the registration fee of $1200 ARS covers:
- Lunch and refreshment breaks
- Course materials
- Course dinner on Friday 8 November
There will be a maximum of 26 participants on this course and registration is dependent on selection after successful completion of the application process.