GROUP ZAGROVIC | Biochemistry & Biophysics, Structural & Computational Biology

Computational Biophysics of Macromolecules

Bojan Zagrovic
Group Leader

Phone: +43-1-4277-52271
Dr. Bohr-Gasse 9 (VBC 5), 1030 Vienna | Room: 1.601


The function of biomolecules arises from the interplay between their structure, dynamics and interactions with the environment. We explore this principle through the use of computational and theoretical methods, such as molecular dynamics (MD) simulations, in close collaboration with experimentalists. Specifically, we are interested in the role of dynamics and conformational entropy in non-covalent protein interactions. Frequently, a change in conformational entropy of binding partners may be enough to alter their functional state without any associated rearrangement of their average...


Alexander Beribisky| Anita de Ruiter| Markus Fleck| Matea Hajnic| Gerald Platzer| Anton Polyansky| David Weichselbaum|

Selected Publications

Polyansky AA & Zagrovic B (2013). Evidence of direct complementary interactions between messenger RNAs and their cognate proteins. NUCLEIC ACIDS RES;41(18):8434-8443. PMID: 23868089

Polyansky AA, Hlevnjak M & Zagrovic B. (2013). Analogue encoding of physiochemical properties of proteins in their cognate messenger RNAs. NAT COMMUN(4):2784. PMID: 24253588

Petrov D, Margreitter C, Grandits M, Oostenbrink C, Zagrovic B (2013). A systematic framework for molecular dynamics simulations of protein post-translational modifications PLOS COMPUT BIOL;9(7):e1003154. PMID: 23874192

Collaboration & Funding

ERC Starting Grant 2011

ERC Starting Grant 2011

Awardee of a "Starting Independent Researcher Grant" from the European Research Council ERC

START Prize 2010, Austrian Science Fund (FWF)

START Prize 2010, Austrian Science Fund (FWF)

Project title: "Specific and global aspects of protein interactions"