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

J Biomol Struct Dyn. 1997 Aug;15(1):69-80. doi: 10.1080/07391102.1997.10508947.

Abstract

An extensive computer simulation of nucleic acid bases and Watson-Crick base pairs in a water cluster and DMSO cluster is performed by the Monte Carlo method. It is demonstrated that the unfavorable energetics of pair formation in a water cluster is determined by the significant destabilizing contribution of solvent to the energy of complex formation. It is shown that the formation of coplanar base pairs in a DMSO cluster is favorable. The DMSO cluster stabilizes A-U and A-T base pairs and the insignificant destabilization of the G-C base pair by a DMSO cluster is much less than the stabilization which occurs due to the attraction between bases.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Base Composition*
  • Computer Simulation
  • Dimethyl Sulfoxide
  • Hydrogen Bonding
  • Monte Carlo Method
  • Nucleic Acid Conformation
  • Nucleic Acids / chemistry*
  • Solubility
  • Thermodynamics
  • Water

Substances

  • Nucleic Acids
  • Water
  • Dimethyl Sulfoxide