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5 articles related to "Tautomerization"

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Articles

Original Research

Published on 17 Apr 2018

Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems

in Theoretical and Computational Chemistry

Romain Berraud-Pache
Cristina Garcia-Iriepa
Isabelle Navizet

Frontiers in Chemistry

doi 10.3389/fchem.2018.00116

10,235 views
21 citations

Original Research

Published on 18 Sep 2019

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

in Theoretical and Computational Chemistry

Ol'ha O. Brovarets'
Timothy A. Oliynyk
Dmytro M. Hovorun

Frontiers in Chemistry

doi 10.3389/fchem.2019.00597

4,423 views
17 citations

Original Research

Published on 16 Aug 2019

Hydroxy-Substituted Azacalix[4]Pyridines: Synthesis, Structure, and Construction of Functional Architectures

in Supramolecular Chemistry

En-Xuan Zhang
De-Xian Wang
Mei-Xiang Wang

Frontiers in Chemistry

doi 10.3389/fchem.2019.00553

4,736 views
3 citations

Original Research

Published on 26 Nov 2020

A Quantum-Mechanical Looking Behind the Scene of the Classic G·C Nucleobase Pairs Tautomerization

in Organic Chemistry

Ol'ha O. Brovarets'
Alona Muradova
Dmytro M. Hovorun

Frontiers in Chemistry

doi 10.3389/fchem.2020.574454

4,055 views
6 citations

Original Research

Published on 27 Nov 2018

Unexpected Routes of the Mutagenic Tautomerization of the T Nucleobase in the Classical A·T DNA Base Pairs: A QM/QTAIM Comprehensive View

in Chemical Physics and Physical Chemistry

Ol'ha O. Brovarets'
Kostiantyn S. Tsiupa
Andrii Dinets
Dmytro M. Hovorun

Frontiers in Chemistry

doi 10.3389/fchem.2018.00532

3,616 views
18 citations