Structure-based Computer-aided Drug Design

About

Computational methods for drug discovery constitute an essential part of the discovery pipeline, notably in pharmaceutical companies. Structure-based computer-aided drug design (CADD) can support hit identification and lead optimization by tackling several tasks, including small-molecule binding site detection, prediction of how small molecules bind to the protein target, or the estimation of their affinity. This teaching will focus on structure-based CADD.

Course leader

Prof. Vincent Zoete

Target group

This course is addressed to life scientists, biomedical researchers and bioinformaticians (mostly PhD students and postdocs)

Course aim

At the end of the course, the participants are expected to:

Understand the main concepts of structure-based CADD.
Understand the approaches behind structure-based CADD, how they work, what we can expect from them, and what are their limitations

Fee info