title: [Quantum-chemical investigation of the elementary molecular mechanisms of pyrimidine-purine transversions].
abstract: Purine-purine mispairs of DNA (thus involving template base in anti-conformation along the glycosidic bond and base of the incoming nucleotide - in syn-conformation) leading to pyrimidine-purine "transversions"-type point mutations were revealed and characterized at the MP2/6-311++G(2df,pd)//B3LYP/6-311++G(d,p) level of theory in vacuum approach adequately modeling hydrophobic environment of the active centre of high-fidelity replicative DNA-polymerases.
authors.forename: O O
authors.initials: OO
authors.lastname: Brovarets'
authors.lastname: Govorun D M
mesh_terms: D020137:Base Pair Mismatch; D004247:DNA / Q000737:chemistry* / Q000378:metabolism; D004261:DNA Replication; D004259:DNA-Directed DNA Polymerase / Q000737:chemistry / Q000378:metabolism*; D004583:Electrons; D006860:Hydrogen Bonding; D057927:Hydrophobic and Hydrophilic Interactions; D007700:Kinetics; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D011687:Purines / Q000378:metabolism*; D011743:Pyrimidines / Q000378:metabolism*; D011789:Quantum Theory; D013816:Thermodynamics
chemical_list: D011687:Purines; D011743:Pyrimidines; D004247:DNA; D004259:DNA-Directed DNA Polymerase