Publication at Faculty of Mathematics and Physics |
2022
Abstract
The guanine nucleotide (G) and its derivatives are well known for their unique property to self-associate into various complexes through H-bonding and stacking interactions. For example, at higher concentrations, they form nanoscale cylindrical structures called G-quadruplexes, consisting of G- quartet disks stacked one above the other.
Structural control and characterization are the major challenges in maximizing the real-world potential. Recently, profound changes in the Raman optical activity spectra upon G-association were observed.
However, it is difficult to link the changes to the structure and properties. Therefore various computational tools are employed to model and interpret the observations.