DNA modelling

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 DNA at an atomic level. These simulations act as a molecular microscope, allowing us to visualize DNA molecule twists, turns, and fluctuations.

Our exploration extends to investigating the energetic aspects of DNA-protein interactions. Employing specialized methods, we scrutinize these molecular partnerships' binding energies and stability. Additionally, we venture into the realm of quantum chemistry to probe the electronic properties of DNA and its associations with proteins. By combining these diverse approaches, we aim to unlock more profound insights into how DNA and proteins collaborate, shedding light on the fundamental mechanisms governing genetic processes at a molecular scale.

Recent Publications

Real sequence effects on the search dynamics of transcription factors on DNA, Maximilian Bauer, Emil S. Rasmussen, Michael A. Lomholt, Ralf Metzler, Scientific Reports, 5, 10072, (2015)
Recognition of methylated DNA through methyl-CpG binding domain proteins, Xueqing Zou, Wen Ma, Ilia A. Solov'yov, Christophe Chipot, Klaus Schulten, Nucleic Acids Research, 40, 2747 — 2758, (2012)