We use physical principles to understand complex biological phenomena of proteins, DNA, protein complexes, and other biomolecular structures at the atomic level. No single approach fully characterizes the research that falls into this area as the methods we employ are often problem dependent and complex computer simulations are called for.
Research projects
Phase transitions in finite bio-nano-systems
Imagine you're in the kitchen, boiling eggs in water. As the water heats up, you'll see wisps of steam rising – a clear sign of water molecules transitioning from the liquid phase to the gas phase due to the increased heat. But here's the fascinating twist: not just the water undergoing a phase transition; the… Read more
Protein modelling
In the realm of protein structural analysis, a formidable challenge looms — the elucidation of missing elements within these intricate biomolecular structures. As researchers venture into the intricate world of protein structures, they frequently encounter voids and gaps, resembling incomplete puzzles awaiting… Read more
DNA modelling
DNA modeling is a crucial aspect of molecular research, focusing on unraveling the complexities of genetic material. Within our research group, we delve deep into understanding DNA structure, dynamics, and interactions with proteins. Using computer simulations, we observe the intricate movements and behaviors of… Read more
DNA damage repair
DNA damage is a prevalent issue in living cells, occurring frequently due to various factors, including radiation exposure. The consequential lesions, such as single or double-strand breaks, pyrimidine dimers, base loss, or changes, necessitate repair mechanisms to prevent cellular malfunction or death. These… Read more
Modelling membrane-embedded systems
Integral to many biological functions such as signaling, energy conversion, and cellular interactions, membrane-embedded proteins play a pivotal role in various physiological processes. For instance, rhodopsin in the eyes facilitates vision, and ATP synthase in mitochondria is central to energy production. To… Read more
Drug discovery
Virtual screening serves as a pivotal computational method within the realm of drug discovery, facilitating the exploration of vast compound libraries in search of those elusive molecular structures with the potential to form crucial interactions with a drug target. In most cases, this target is a protein receptor or… Read more
Radical oxygen species formation in metabolic enzymes
Survival in organisms intricately relies on orchestrating enzymatic processes within the mitochondria, where cellular energy conversion unfolds. This metabolic journey involves a cascade of redox reactions and electron transfers. Simultaneously, molecular oxygen is an indispensable participant in this energy… Read more
Cryptochrome structure and dynamics
The prediction of protein structures presents a formidable challenge due to the intricate nature of protein folding, a complex puzzle in molecular biology. While achieving accurate protein models is arduous, advancements in computational tools like homology modeling or the revolutionary AlphaFold algorithm have… Read more
Cryptochrome interaction partners
Birds harness the Earth's magnetic field for navigation during their annual migrations. This phenomenon remains the subject of scientific fascination. The biophysics underlying this avian compass sense centers on electron transfers within a light-sensitive protein known as cryptochrome. However, the intricate… Read more
Cryptochrome photochemistry
Cryptochromes, a class of proteins, exhibit a remarkable complexity beyond mere amino acid sequences. These proteins often house smaller molecules within their peptide chains, with one intriguing tenant being the flavin adenine dinucleotide (FAD) molecule. FAD boasts unique photochemical properties, particularly… Read more