[80] Fullerene-Amino Acid Interactions: Theoretical Insights

This work reports the interactions of a C-80 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 C-80 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. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 110: 953-959, 2010