Novel Tautomerisation Mechanisms of the Biologically Important Conformers of the Reverse Löwdin, Hoogsteen, and Reverse Hoogsteen G*·C* DNA Base Pairs via Proton Transfer: A Quantum-Mechanical Survey

Novel Tautomerisation Mechanisms of the Biologically Important Conformers of the Reverse Löwdin, Hoogsteen, and Reverse Hoogsteen G*·C* DNA Base Pairs via Proton Transfer: A Quantum-Mechanical Survey

For the first time, in this study with the use of QM/QTAIM methods we have exhaustively investigated the tautomerization of the biologically-important conformers of the G*·C* DNA base pair—reverse Löwdin G*·C*(rWC), Hoogsteen G*′·C*(H), and reverse Hoogsteen G*′·C*(rH) DNA base pairs—via the single...

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Bibliographic Details
Main Authors: Ol'ha O. Brovarets', Timothy A. Oliynyk, Dmytro M. Hovorun
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-09-01
Series:Frontiers in Chemistry
Subjects:
single proton transfer
double proton transfer
conformer
reverse Löwdin base pair
Hoogsteen
reverse Hoogsteen
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00597/full

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https://www.frontiersin.org/article/10.3389/fchem.2019.00597/full

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