Table 2.

Summary of biophysical features for natural and non-natural nucleotides used during correct and translesion DNA synthesis^a

^aSurface areas and volumes (used as an indicator of the relative size of the nucleobase), dipole moments and solvation energies (in the aqueous phase) for each nucleobase were calculated using Spartan ’08 software. The semi-empirical method of calculation with AM1 was used for geometry optimization and the Density Functional Theory level of calculation with B3LYP 6-31G** basis sets were used for energy minimization.