Title :
Interaction of size expanded DNA bases with small neutral gold nanoclusters
Author :
Sharma, Purshotam ; Sharma, Sitansh ; Singh, Harjinder ; Mitra, Abhijit
Author_Institution :
Center for Comput. Natural Sci. & Bioinf. (CCNSB), Int. Inst. of Inf. Technol. (IIIT), Hyderabad
Abstract :
Binding of yDNA bases with gold nanoclusters is studied using density functional theory. We find that gold complexes interact asymmetrically with y-bases. The binding energies in these complexes are found to lie between -29.1 and -77.1 Kcal/mol. The binding is contributed by direct Au-N or Au-O anchor bonds, as well as non conventional Au...H-N type of hydrogen bonding.
Keywords :
DNA; binding energy; density functional theory; gold; hydrogen bonds; metal clusters; molecular biophysics; nanobiotechnology; nanostructured materials; Au; anchor bonds; binding energies; density functional theory; hydrogen bonding; neutral gold nanoclusters; yDNA bases; Bioinformatics; Bonding; DNA; Density functional theory; Geometry; Gold; Hydrogen; Information technology; Nanoparticles; Nitrogen;
Conference_Titel :
Nanoelectronics Conference, 2008. INEC 2008. 2nd IEEE International
Conference_Location :
Shanghai
Print_ISBN :
978-1-4244-1572-4
Electronic_ISBN :
978-1-4244-1573-1
DOI :
10.1109/INEC.2008.4585671
