Proteins are some of the most fascinating and complex macromolecules in living systems that play extraordinarily diverse roles in sustaining life. These roles are mediated through the interactions that proteins make both with other proteins and with different molecular constituents of the cell. The continuing focus of my research is on investigating the principles (structural, energetic and dynamic) that govern protein interactions. To that end I employ molecular simulation and modeling techniques to study protein-protein protein-DNA, and protein-ligand interactions at the atomic scale. I am furthermore keen on analyzing the properties of known protein structures and sequences in order to gain insight into how evolution has shaped the functional specificity of proteins. In parallel to these molecular level investigations I am actively engaged in developing quantitative and integrative computational approaches for analyzing physical and functional interactions between proteins, protein complexes and biochemical pathways at the cellular level. My research activities closely combine the development of analysis methods and software tools, with their application to important biological problems with relevance to human health.
- Structural basis for ion selectivity in TMEM175 K channels.
- Production and Application of Nanobodies for Membrane Protein Structural Biology.
- Structural and kinetic characterization of Trypanosoma congolense pyruvate kinase.
- An intrinsically disordered proteins community for ELIXIR.
- A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
- Biochemical determinants of ObgE-mediated persistence.
- DisProt: intrinsic protein disorder annotation in 2020.
- H, C, and N backbone and side chain chemical shift assignment of YdaS, a monomeric member of the HigA family.