The study of the stability of Watson-Crick nucleic acid base pairs in water and dimethyl sulfoxide: Computer simulation by Monte Carlo method

Abstract

Extensive computer simulation of nucleic acids bases and Watson-Crick base pairs in water and DMSO by Monte Carlo method was conducted. It was detected that the energetic unfavorability of pairs formation in water is determined by significant destabilizing contribution of solvent to the enthalpy of complex formation. It was shown that the formation of coplanar base pairs in DMSO is favorable. This solvent stabilizes A-U and A-T base pairs and the insignificant destabilization of G-C base pair by it is much less than the stabilization due to the bases attraction.