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Enumerating and indexing many-body intramolecular interactions: a graph theoretic approach
The central idea observes a recursive mapping of [Formula: see text] -body intramolecular interactions to [Formula: see text] -body terms that is consistent with the molecular topology. Iterative application of the line graph transformation is identified as a natural and elegant tool to accomplish t...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4544505/ https://www.ncbi.nlm.nih.gov/pubmed/26316670 http://dx.doi.org/10.1007/s10910-015-0510-x |