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

Lethal DNA damage caused by ion-induced shock waves in cells, Ida Friis, Alexey Verkhovtsev, Ilia A. Solov'yov, Andrey V. Solov'yov, Physical Review E, 104, 054408, (2021)
Modeling the effect of ion-induced shock waves and DNA breakage with the reactive CHARMM force field, Ida Friis, Alexey Verkhovtsev, Ilia A. Solov'yov, Andrey V. Solov'yov, Journal of Computational Chemistry, 41, 2429-2439, (2020)
Autoantibody Profiling in Lupus Patients using Synthetic Nucleic Acids, Martin Klecka, Christina Thybo, Claudia Macaubas, Ilia Solov'yov, Julia Simard, Imelda Maria Balboni, Emily Fox, Anne Voss, Elizabeth D. Mellins, Kira Astakhova, Scientific Reports, 8, 5554, (2018)
On binding specificity of (6-4) photolyase to a T(6-4)T DNA photoproduct, Katrine Aalbæk Jepsen, Ilia A. Solov'yov, European Physical Journal D, 71, 155-165, (2017)
Synthetic oligonucleotide antigens modified with locked nucleic acids detect disease specific antibodies, Simone V. Samuelsen, Ilia A. Solov'yov, Imelda M. Balboni, Elizabeth Mellins, Christoffer Tandrup Nielsen, Niels H. H. Heegaard, Kira Astakhova, Scientific Reports, 6, 35827, (2016)