MONTE-CARLO MODELING OF THE HYDRATION OF MISMATCHED NUCLEIC-ACID BASE-PAIRS

A Monte Carlo method was used to model the hydration of mismatched nucleic acid base pairs connected by water bridges. We have shown that water molecules forming H-bonds with both bases are more likely to conserve their positions in an aqueous environment. This finding confirms the assumption that water molecules play an important role in the formation of mismatched base pairs and in the structure and function of nucleic acids