Biopolym. Cell. 2007; 23(3):167-171.
Does non-empirical quantum chemistry allow understanding nature of purine-purine mismatches formation by high fidelity DNA polymerases?
1Kochina O. S., 2, 3Yurenko Ye. P., 3Hovorun D. M.
  1. Taras Shevchenko National University of Kyiv
    64, Volodymyrska Str., Kyiv, Ukraine, 01033
  2. University Pierre and Marie Curie
    4 place Jussieu 75005 Paris, France
  3. Institute of Molecular Biology and Genetics, NAS of Ukraine
    150, Akademika Zabolotnoho Str., Kyiv, Ukraine, 03680

Abstract

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

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