Drug Discovery: Computational Approaches

This lecture introduces the EXSCALATE4COV project, a pan-European drug discovery infrastructure aiming to accelerate the identification of potential COVID-19 treatments. It covers the project's organizational structure, goals, workflow, supportive initiatives like the Drug Box, and the computational techniques used for lead identification, molecular dynamics, docking, and virtual screening. The lecture emphasizes the collaboration between academia and industry, the challenges in drug discovery, and the importance of computational tools in accelerating the process.