Departments

ARIS code of the research program: P1-0010

Period: 1.1.2019 - 31.12.2027

Head: izr. prof. dr. Franci Merzel

SUMMARY

Gaining a predictive understanding of the behavior of complex biological systems based on physical and chemical principles is one of the greatest scientific challenges in life sciences. Characterizing the structure and internal dynamics of biomolecules such as proteins is essential for understanding the mechanisms of their biological functions.

Our research focusses on the structure and dynamic processes in biomolecular systems and how these processes are driven by inter- and intramolecular interactions. Specifically, the research program addresses five specific research areas: (1) the impact of hydrophobic/hydrophilic hydration on protein folding and association; (2) the relevance of the dynamic aspect of ligand binding to proteins; (3) the role of intrinsically disordered protein regions; (4) the coupling of water and ion transport in membrane proteins to protein dynamics; (5) the effects of the local environment on the propensity of proteins to aggregate.

In order to understand how observable biomolecular processes, which extend over broad temporal and spatial scales, arise from events at the molecular scale, we propose a combined use of experimental and computational approaches, including primarily vibrational spectroscopy, NMR spectroscopy and advanced computer simulation techniques based on classical force field and ab-initio molecular dynamics as well as theoretical methods. To achieve optimal synergy between the different approaches, we develop our own computational methods that allow a direct comparison between the experiments and computer simulations. As a team, we have the necessary expertise to apply excellent theoretical and experimental work. It is clear that only a multidisciplinary approach, as described in this program, is the best way to achieve the desired scientific goals. Novel approaches and methodologies that we are constantly developing to address the problems within the research program are made available to the research community.

Above all, the results of the research program will provide fundamental knowledge about the basic phenomena in biomolecular systems. All of these topics are essential to our lives. Although it is difficult to anticipate the immediate and direct socio-economic or cultural relevance of research results, it is of utmost importance to gain more knowledge and enrich our understanding of molecular basis of biological phenomena. Indeed, understanding molecular phenomena such as protein aggregation and misfolding is important to understand the molecular basis of diseases, and knowledge of the three-dimensional structure of proteins and ligand binding is a prerequisite for successful rational drug design and development.

RESEARCHERS (in alphabetical order)

• Mohamed Elwy Abdelhamed Abdelmonaem, young researcher (2023-…); SICRIS code: 57590
• Simona Golič Grdadolnik, researcher (2019-…); SICRIS code: 08329
• Tjaša Goričan, researcher (2024-…); SICRIS code: 39078
• Jože Grdadolnik, researcher (2019-…); SICRIS code: 08523
• Anže Hubman, young researcher (2023-…); SICRIS code: 57986
• Franci Merzel, head (2019-…); SICRIS code: 13627
• Urban Novak, researcher (2019-…), SICRIS code: 34527
• Iza Ogris, young researcher (2019-…); SICRIS code: 50459
• Francesca Paoletti, researcher (2019-2022); SICRIS code: 50851
• Neli Sedej, researcher (2020-…); SICRIS code: 54913
• Marko Sever, young researcher (2019-2021); SICRIS code: 39115
• Barbara Zupančič, researcher (2019-…); SICRIS code: 28608