Novel Computational Approaches for Small Molecules and New Modalities

Recently, the focus of pharmaceutical design has shifted from mainly small molecules to an increasing number of new modalities – including peptides, oligonucleotides, and many more. Established computational modeling and data analysis techniques are ever-evolving, recently with the incorporation of machine learning and artificial intelligence. However, new modalities bring new challenges. As a result, many of these established methodologies originally developed for small molecules have to be refined and enhanced to meet the new areas of application. The GRS on Computer-Aided Drug Design will highlight ongoing advances in both areas – from small molecules to new modalities – and will show potential enhancement but also the limitations of current methodologies. It will further serve as a platform for young scientists to discuss their research and engage with peers. Instruction for applications: Talk slots are reserved for young scientists. All participants are expected to present a poster and are highly encouraged to apply for a talk.