Photochemical Selectivity in Guanine-Cytosine Base-Pair Structures

Autor: Abo-Riziq, Ali, Grace, Louis, Nir, Eyal, Kabelac, Martin, Hobza, Pavel, de Vries, Mattanjah S., Levy, Donald H.

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America, 2005 Jan 01. 102(1), 20-23.

Externí odkaz: https://www.jstor.org/stable/3374119

Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs

Autor: Ol'ha O. Brovarets', Kostiantyn S. Tsiupa, Dmytro M. Hovorun

Publikováno v: Frontiers in Chemistry, Vol 6 (2018)

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 �

Externí odkaz: https://doaj.org/article/d3ba7364d04148338c10667c819d4944

Efficacy of some repurposed anti-Covid-19 nucleotide analogs against RNA-dependent RNA polymerase: molecular electrostatic mechanisms using quantum mechanics

Autor: Fong, Clifford

A study of some commonly used anti-viral nucleotide analogs using quantum mechanical methods has been carried out. Specifically the binding of nucleoside triphosphates (NTPs derived from IDX-184, Ribavirin, Sofosbuvir, Remdesivir, Molnupiravir, Favip

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______166::07534ff538828ab46dd330909e573810
https://hal.archives-ouvertes.fr/hal-03680703

The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics

Autor: C. Fonseca Guerra, Sílvia Simon, L. Guillaumes

Publikováno v: ChemistryOpen
Recercat. Dipósit de la Recerca de Catalunya
instname
ChemistryOpen, 2015, vol. 4, núm. 3, p. 318-327
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona

Hydrogen bonds play a crucial role in many biochemical processes and in supramolecular chemistry. In this study, we show quantum chemically that neither aromaticity nor other forms of π assistance are responsible for the enhanced stability of the hy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e79d54d710a0c9fae7eb50740d3fdf6
https://hdl.handle.net/2072/372574

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