ИСТИНА

CD spectra of model homo- and heteropolar quadruplex structures are calculated using TDDFT method and classical dipole-dipole interaction model. Quantum chemical calculation yielded CD shapes that closely resemble experimental ones. Classical model allows for fast qualitative theoretical estimate of CD spectrum of an arbitrary quadruplex structure and can be utilized for tracking molecular dynamics trajectories. The dependence of CD spectrum on geometrical parameters is investigated. It is shown that the shape of CD spectrum is determined by stacking regime rather than quadruplex topology.