Universal 1/f Noise in the Power Spectra of Energy Time-series in Solvated DNA Dynamics

RESUMO

We investigate energy fluctuations of solvated DNA in three conformations: G-quadruplex, Hairpin, and Duplex. Our comprehensive molecular dynamics (MD) simulations demonstrate that the time-series of interaction energies for DNA self, DNA-water and DNA-ion show 1/f noise with a universal decay exponent $\beta \simeq 0.90$. We show that DNA topology and structural rigidity modulate its dynamic coupling with the surrounding hydration shell and mobile counter-ions. This coupling critically shapes the 1/f noise profile: DNA self energies in flexible structures (G-quadruplex, Hairpin) display pronounced low-frequency modes absent in the rigid Duplex. These findings reveal how the interplay between DNA topology and environmental coupling governs different stochastic behavior in biologically relevant forms of DNA.