Advanced search
Publication Cover
Journal of Biomolecular Structure and Dynamics Volume 36, 2018 - Issue 7
Journal homepage
128
Views
15
CrossRef citations to date
0
Altmetric
Research Articles

A QM/QTAIM detailed look at the Watson–Crick↔wobble tautomeric transformations of the 2-aminopurine·pyrimidine mispairs

Ol’ha O. Brovarets’ Department of Molecular and Quantum Biophysics, Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine , 150 Akademika Zabolotnoho Str., Kyiv03680, Ukraine; Department of Molecular Biotechnology and Bioinformatics, Institute of High Technologies, Taras Shevchenko National University of Kyiv , 2-h Akademika Hlushkova Ave., Kyiv03022, UkraineCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-8929-293X
ORCID Icon,
Ivan S. Voiteshenko Department of Molecular Biotechnology and Bioinformatics, Institute of High Technologies, Taras Shevchenko National University of Kyiv , 2-h Akademika Hlushkova Ave., Kyiv03022, UkraineORCID Iconhttps://orcid.org/0000-0003-2434-9218
ORCID Icon,
Horacio Pérez-Sánchez Computer Science Department, Bioinformatics and High Performance Computing (BIO-HPC) Research Group, Universidad Católica San Antonio de Murcia (UCAM) , Guadalupe, Murcia30107, SpainORCID Iconhttps://orcid.org/0000-0003-4468-7898
ORCID Icon &
Dmytro M. Hovorun Department of Molecular and Quantum Biophysics, Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine , 150 Akademika Zabolotnoho Str., Kyiv03680, Ukraine; Department of Molecular Biotechnology and Bioinformatics, Institute of High Technologies, Taras Shevchenko National University of Kyiv , 2-h Akademika Hlushkova Ave., Kyiv03022, UkraineORCID Iconhttps://orcid.org/0000-0002-5579-5520
ORCID Icon
Pages 1649-1665 | Received 22 Mar 2017, Accepted 11 May 2017, Published online: 28 Jul 2017

Citations (15)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (5)

Pradeep Pant, Amita Pathak & B. Jayaram. (2020) Symmetrization of the backbone of nucleic acids: a molecular dynamics study. Journal of Biomolecular Structure and Dynamics 38:3, pages 673-681.
Read now
Soundrapandian Suganthi, Ramasamy Sivaraj, Paulraj Mosae Selvakumar & Israel V.M.V. Enoch. (2019) Supramolecular complex binding to G-quadruplex DNA: Berberine encapsulated by a planar side arm–tethered β-cyclodextrin. Journal of Biomolecular Structure and Dynamics 37:13, pages 3305-3313.
Read now
Ol’ha O. Brovarets’ & Dmytro M. Hovorun. (2019) Key microstructural mechanisms of the 2-aminopurine mutagenicity: Results of extensive quantum-chemical research. Journal of Biomolecular Structure and Dynamics 37:10, pages 2716-2732.
Read now
Ol’ha O. Brovarets’ & Dmytro M. Hovorun. (2019) Atomistic mechanisms of the double proton transfer in the H-bonded nucleobase pairs: QM/QTAIM computational lessons. Journal of Biomolecular Structure and Dynamics 37:7, pages 1880-1907.
Read now
Ruby Srivastava. (2018) Theoretical studies on the electronic and optoelectronic properties of [A.2AP(w)/A*.2AP(WC)/C.2AP(w)/C*.2AP(WC)/C.A(w)/C*.A(WC)]–Au8 mismatch nucleobase complexes. Molecular Physics 116:2, pages 263-272.
Read now

Articles from other publishers (10)

Deepika Kagra, Preethi Seelam Prabhakar, Karan Deep Sharma & Purshotam Sharma. (2020) Structural Patterns and Stabilities of Hydrogen-Bonded Pairs Involving Ribonucleotide Bases and Arginine, Glutamic Acid, or Glutamine Residues of Proteins from Quantum Mechanical Calculations. ACS Omega 5:7, pages 3612-3623.
Crossref
Ol'ha O. Brovarets'Timothy A. Oliynyk & Dmytro M. Hovorun. (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. Frontiers in Chemistry 7.
Crossref
Zhengqiong Zhang, Chengqi Lu, Pei Wang, Aijing Li, Hongbo Zhang & Sichuan Xu. (2019) Structural Basis and Mechanism for Vindoline Dimers Interacting with α,β-Tubulin. ACS Omega 4:7, pages 11938-11948.
Crossref
Ol'ha O. Brovarets'Kostiantyn S. Tsiupa, Andrii Dinets & Dmytro M. Hovorun. (2018) Unexpected Routes of the Mutagenic Tautomerization of the T Nucleobase in the Classical A·T DNA Base Pairs: A QM/QTAIM Comprehensive View. Frontiers in Chemistry 6.
Crossref
Ol’ha O. Brovarets’ & Dmytro M. Hovorun. 2018. Mitochondrial DNA - New Insights. Mitochondrial DNA - New Insights.
Ol'ha O. Brovarets', Kostiantyn S. Tsiupa & Dmytro M. Hovorun. (2018) Unexpected A·T(WC)↔A·T(rWC)/A·T(rH) and A·T(H)↔A·T(rH)/A·T(rWC) conformational transitions between the classical A·T DNA base pairs: A QM/QTAIM comprehensive study. International Journal of Quantum Chemistry 118:18, pages e25674.
Crossref
Ol’ha O. Brovarets’, Kostiantyn S. Tsiupa & Dmytro M. Hovorun. (2018) Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation. PLOS ONE 13:6, pages e0199044.
Crossref
Ol'ha O. Brovarets'Kostiantyn S. Tsiupa & Dmytro M. Hovorun. (2018) Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs. Frontiers in Chemistry 6.
Crossref
Ol'ha O. Brovarets', Kostiantyn S. Tsiupa & Dmytro M. Hovorun. (2018) The A·T(rWC)/A·T(H)/A·T(rH) ↔ A·T*(rw WC )/A·T*(w H )/A·T*(rw H ) mutagenic tautomerization via sequential proton transfer: a QM/QTAIM study . RSC Advances 8:24, pages 13433-13445.
Crossref
Ol'ha O. Brovarets', Ivan S. Voiteshenko & Dmytro M. Hovorun. (2018) Physico-chemical profiles of the wobble ↔ Watson–Crick G*·2AP(w) ↔ G·2AP(WC) and A·2AP(w) ↔ A*·2AP(WC) tautomerisations: a QM/QTAIM comprehensive survey. Physical Chemistry Chemical Physics 20:1, pages 623-636.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.