On the a priori possibility of the formation of hexameric mini-hairpin d(GCGAGC) in solution

Combined high-level (M05-2x, M06-2x functionals of DFT method) and semi-empirical structural and energetic analyses have confirmed the a priori possibility for the formation of the shortest ever known hexameric hairpin d(GCGAGC) with GA loop in aqueous solution. The origin of stabilisation comes from intramolecular H-bonding and hydrophobic interactions and, to lesser extent, from intramolecular van der Waals and electrostatic forces. This result provides a basis for seeking of such mini-hairpins in experiment.