Biomolecular Modeling Laboratory
The Biomolecular Modeling Laboratory aims to explore how molecular behavior dictates macroscopic-scale properties of systems. Professor Matysiak's group utilizes statistical thermodynamics to estimate thermophysical properties from computer simulations on a molecular level. Group members model self-assembly of soft materials such as surfactants, proteins, lipid and polysaccharides. They particularly focus on characterizing molecular mechanisms that are relevant in many neurodegenerative diseases and certain types of cancer.
Since there is no single technique that can span the whole range of typical time and length scales relevant for biomolecular function and self-assembly behavior, lab members are developing new multi-scale simulation techniques and models to characterize these systems at multiple time and length scales. The laboratory's research focuses on multiscale simulations methods, molecular aggregation processes, protein folding/misfolding and stability, protein-membrane interactions, molecular basis of Huntington’s disease, the mode of action of antimicrobial peptides in targeting cancer cells and self-assembly of surfactants in ionic liquids.