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- Title
Relating Estrada index with spectral radius.
- Authors
Gutman, Ivan; Radenković, Slavko; Furtula, Boris; Mansour, Toufik; Schork, Matthhias
- Abstract
The Estrada index EE is a recently proposed molecular structure- descriptor, used in the modeling of certain features of the 3D structure of organic molecules, in particular of the degree of folding of proteins and other long-chain biopolymers. The Estrada index is computed from the spectrum of the molecular graph. Therefore, finding its relation with the spectral radius r (= the greatest graph eigenvalue) is of interest, especially because the structure-dependency of r is relatively well understood. In this work, the basic characteristics of the relation between EE and r, which turned out to be much more complicated than initially anticipated, was determined.
- Subjects
SPECTRUM analysis; MOLECULAR structure; PROTEIN folding; BIOPOLYMERS; RADIAL bone
- Publication
Journal of the Serbian Chemical Society, 2007, Vol 72, Issue 12, p1321
- ISSN
0352-5139
- Publication type
Article
- DOI
10.2298/JSC0712321G