Biopolymers and cell. 2007; 23 (3): 167 - 171

Does non-empirical quantum chemistry allow understanding nature of purine-purine mismatches formation by high fidelity DNA polymerases?

O. S. Kochina, Ye. P. Yurenko, D. M. Hovorun

Based on ab initio quantum chemical calculations at the MP2/6–311++G(d,p)//B3LYP/6–31G(d,p) level of theory, we suggest a new approach, explaining molecular mechanisms of purine-purine mismatches formation by high fidelity DNA polymerases.

Keywords: replication DNA polymerase, purine-purine mismatches of DNA biosynthesis, non-empirical quantum chemistry.