The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair
Molecules, 2021•mdpi.com
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.
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.
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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