Understanding how life emerges from the structure and dynamics of molecules within cells is not only intriguing scientific question but also practically relevant in biomedical applications such as drug design. Proteins folded to fixed structures can be nowadays studied in detail with sophisticated experimental and computational approaches. However, many biomolecules such as amyloid forming peptides and lipids forming cellular membranes do not fold to such fixed structures. Here, we develop new methods to characterize these disordered biomolecules by combining nuclear magnetic resonance (NMR) experiments and molecular dynamics (MD) simulations. The research supports drug design, for example, against neurodegenerative and cardiovascular diseases. We will also generate databanks that enable novel data-driven and machine learning applications. Research will be conducted in the Division of Pharmaceutical Biosciences in the Faculty of Pharmacy in the University of Helsinki.

2023

2027