Community Research and Development Information Service - CORDIS



Project ID: IST-2001-38951
Funded under: FP5-IST
Country: Italy

Classical molecular dynamics calculations of G4-wires of different lengths and inner cation coordination

It is found that the metal species in the inner channels affects the overall stability of the quadruple helical conformation. The shorter the quadruplexes, the more sensitive they are to the degree of coordination and they may unfold when they are not completely filled with metal cations. Instead, long quadruplexes can remain in the folded state even in the absence of inner cations or in the presence of the smallest Li ions [10. Manuela Cavallari, Arrigo Calzolari, Anna Garbesi, and Rosa Di Felice, "Motion of metal ions in G4-wires by Molecular Dynamics simulations", J. Phys. Chem. B 110, 26337 (2006).]. These simulations were undertaken to explain some aspects of the synthesis.


Rosa DI FELICE, (member of permanent research staff)
Tel.: +39-059-2055320
Fax: +39-059-2055651
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