Effect of base mismatch on the electronic properties of DNA-DNA and LNA-DNA double strands: Density-functional theoretical calculations

Electronic properties of octameric DNA-DNA and LNA-DNA double strands with a base mismatch were compared with those having fully complementary base pairs to quantify the effect of the base mismatch on hybridization energies. The difference in hybridization energies between fully complementary and mismatched double strands is explained in terms of variation in charge distributions around the hydrogen-bonded base pairs.