[80] Fullerene-amino acid interactions: Theoretical insights

Aned De Leon, Abraham F. Jalbout, Vladimir A. Basiuk

Research output: Contribution to journalArticlepeer-review

10 Scopus citations


This work reports the interactions of a C80 fullerene species with the 20 naturally occurring amino acids. As a result of the analysis of multiple configurations, we have determined that the most stable C80 complexes form with thiol containing amino acids. The stabilities of the resulting complexes have been classified according to biochemical classifications that are used to develop trends among the calculated data. The computed trends in the dissociation energies are related to the backbone structure of the corresponding amino acids.

Original languageEnglish
Pages (from-to)953-959
Number of pages7
JournalInternational Journal of Quantum Chemistry
Issue number4
StatePublished - 15 Mar 2010
Externally publishedYes


  • Amino acids
  • Dissociation energies
  • Fullerenes


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