Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs
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چکیده
منابع مشابه
Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs
For the first time novel high-energy conformers-A·T(wWC) (5.36), A·T(wrWC) (5.97), A·T(wH) (5.78), and A·T(wrH) (ΔG = 5.82 kcal·mol-1) (See Graphical Abstract) were revealed for each of the four biologically important A·T DNA base pairs - Watson-Crick A·T(WC), reverse Watson-Crick A·T(rWC), Hoogsteen A·T(H) and reverse Hoogsteen A·T(rH) at the MP2/aug-cc-pVDZ//B3LYP/6-311++G(d,p) level of quant...
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ژورنال
عنوان ژورنال: Frontiers in Chemistry
سال: 2018
ISSN: 2296-2646
DOI: 10.3389/fchem.2018.00008