Biomolecule folding and association dynamics: from the computer into the living cell

Speaker: Martin Gruebele, University of Illinois at Urbana Champaign

Host: Pratyush Tiwary

Abstract: Protein and RNA folding and binding reactions are generally quite fast and involve small free energy differences. That speed has proven useful when comparing computer simulations of protein and nucleic acid folding and binding with test-tube experiments. Furthermore, it also means that biomacromolecules can be sensitive to the environment that biases their energy landscapes, such as variations between cell compartments and tissues, or derivatization by PEG for drug delivery. I will discuss molecular dynamics simulations, in-cell measurements, and measurements in animal models that highlight the sensitivity of biomolecular folding and binding dynamics to the solvation environment, providing organisms with yet another way of modulating their phenotype, and researchers with ways of identifying normal and abnormal tissues.

Seminars start at 4:00 pm, and refreshments will be served at 3:45 pm. All seminars are held in the Conference Room (1116) of the Institute for Physical Science and Technology (IPST) Building unless otherwise noted.