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Molecular structure of DNA via Zagreb connection descriptors. | LitMetric

Molecular structure of DNA via Zagreb connection descriptors.

Eur Phys J E Soft Matter

School of Mathematical Sciences, Anhui University, Hefei, 230601, People's Republic of China.

Published: July 2024

Topological indices quantify the connectivity and structural properties of chemical compounds. We use the topological indices for predicting and evaluating the numerous properties of molecules, such as boiling temperatures, toxicity, and biological activity. Zagreb connection indices are a useful tool for studying the structural characteristics of the DNA backbone network. These indices provide important information on the arrangement and connections between nucleotide bases inside the DNA molecule. These indices show compactness, complexity, and topological properties in order to predict DNA bending propensity, DNA-protein interaction, and DNA stability. DNA folding patterns and the impact of mutations on DNA networks are areas of further research for these topological indices. In this study, we calculate Zagreb connection indices and modified Zagreb connection indices for backbone DNA network and subdivided backbone DNA network. Furthermore, we compute the hyper-Zagreb connection index, the inverse sum connection index, and the harmonic connection index.

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http://dx.doi.org/10.1140/epje/s10189-024-00442-7DOI Listing

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