Research
Interests
NMR-based Computational Structural Biology
Computation methods to study biomolecular systems, in particular by nuclear magnetic resonance (NMR), are the focus of our research. The relationship between structure, dynamics and function of biological macromolecules is of fundamental importance for understanding life at a molecular level, and a key element of rational drug design. The three-dimensional structure has a piv¬otal role, since its knowledge is essential to understand the physical, chemical, and bi¬ological properties of a protein. Until recently NMR protein structure determination was a laborious undertaking that occupied a trained spectroscopist for months or years for each new protein structure. This situation has changed by the introduction of automated, computational systems. We are extending NMR protein structure analysis to hitherto inaccessible systems, including proteins larger than 40 kDa, membrane proteins, and proteins studied directly inside living cells.
