Computer-Aided Drug Design

About

The Computer-Aided Drug Design (CADD) International Summer School is an intensive course aimed at providing a comprehensive overview of the main computational methods applied to drug discovery.
The program combines theoretical lectures with hands-on tutorials, enabling participants to acquire practical skills in structural analysis, molecular docking, pharmacophore modeling, molecular dynamics simulations, and virtual screening.
At the end of the course, participants will have developed an independent computational project and will receive a certificate of attendance including learning objectives and activities carried out.
The course is accredited with 3 ECTS by the University of Pisa (or equivalent).

The Summer School is open to undergraduate and graduate students, PhD candidates, and senior researchers from academia, research institutes, hospitals, and industry, with a background in chemistry, biology, or pharmaceutical sciences. The course is offered both on-site in Pisa and online, with a maximum number of participants admitted for each modality.

Main topics covered include:
- Visualization and analysis of protein–ligand complexes
- Basic Linux commands and computational environment setup
- Molecular docking and evaluation of docking reliability
- Pharmacophore modeling
- Molecular dynamics simulations
- Virtual screening approaches
- Applications of artificial intelligence in drug discovery

The Summer School will be activated with at least 12 students. The maximum number of participants is set to 50 students.

The Summer School will be held on campus, in Pisa, at Polo Fibonacci, via Filippo Buonarroti, 3

The program will be activated also in distance learning mode (TEAMS platform)

Course leader

Tiziano Tuccinardi

Target group

Undergraduates and PhD students, post-doctoral researchers and senior researchers from Universities, research institutes, clinics and industries are welcome

Course aim

- Provide a solid theoretical and practical foundation in computational methods for drug design, including docking, pharmacophore modeling, molecular dynamics, and virtual screening.
- Enable participants to independently perform a complete computational workfl ow, from structural analysis to predictive modeling.
- Develop critical thinking and evaluation skills by discussing advantages, limitations, and possible errors of computational methodologies.
- Foster interdisciplinary integration by connecting chemistry, biology, informatics, and pharmacology.
- Promote scientific collaboration and dissemination, encouraging participants to exchange ideas, share results, and explore future research directions.
- Award ECTS credits and certification, attesting the skills and competencies acquired during the course

Fee info