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IQTC Seminar: Julian Fuchs

Optimizing Molecular Conformations and Interactions for Drug Design

Friday March 22nd 2024, 13:00h

Aula Magna at the Faculty of Pharmacy and Food Sciences

In collaboration with the Institut de Biomedicina (IBUB)

Computational chemistry holds promise to speed up drug discovery via stringent prioritization of most promising candidate compounds in silico. In my talk I will discuss how computational chemistry may be applied to identify conformational preferences aiming to optimize steric complementarity between receptor and ligand. Additionally, I will present a quantum mechanics approach exploring electronics in pi-pi stacking interactions.