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Design Drugs With a Computer


4 et 5 mai 2021, 09:15-12:00 et 13:30-17:00


Dr Antoine Daina, Institut suisse de bioinformatique


Dr Antoine Daina, Institut suisse de bioinformatique

Dr Vincent Zoete, Institut suisse de bioinformatique


Employing computing resources algorithms and 3D visualization to rationally design novel molecules that activate or inhibit the function of a therapeutically relevant protein became a key element of any industrial or academic drug discovery projects.

Computer-assisted drug design (CADD) aims at generating rational ideas about how to create or modify the molecules and at helping to promote the most promising drug candidates at each stage of the process, from early hit finding to late preclinical development.

The objective of this two-days workshop is two-fold:

i) Providing the necessary theoretical background and an overview of existing software and databases in order to

ii) let the participant himself discover, design, optimize and evaluate novel active virtual molecules by two different approaches (based on freely available web-based tools developed by the Molecular Modeling Group at the Swiss Institute of Bioinformatics).

The final goal is for non-expert participants (being pharmacist, biologist, chemists, physicist or MD) to acquire the right technical skills to achieve basic drug design tasks on whatever computer connected to the Internet with enough theoretical background to interpret the outputs and make them relevant outcomes in any project involving biological activity of small molecules.


A distance ou au CMU, selon l'évolution de la situation



Délai d'inscription 28.04.2021
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