The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair - Sorbonne Université
Article Dans Une Revue Molecules Année : 2021

The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair

Résumé

In this contribution, we recall and test a new methodology designed to identify the favorable reaction pathway between two reactants. Applied to the formation of the DNA guanine (G) –cytosine (C) pair, we successfully predict the best orientation between the base pairs held together by hydrogen bonds and leading to the formation of the typical Watson Crick structure of the GC pair. Beyond the global minimum, some local stationary points of the targeted pair are also clearly identified.

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Chimie
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Dates et versions

hal-03264282 , version 1 (18-06-2021)

Identifiants

Citer

Johanna Klein, Paul Fleurat-Lessard, Julien Pilmé. The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair. Molecules, 2021, 26 (11), pp.3336. ⟨10.3390/molecules26113336⟩. ⟨hal-03264282⟩
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