Accueil > Publications > Recherche par années > Années 2000 > 2001

Barbault, F ; Lancelot, G

The chemical shift calculation, a tool for nucleic acids structure validation.

Comptes Rendus de L Academie Des Sciences Serie Ii Fascicule C-Chimie 4 (10) 779-782

par Administrateur - publié le

Abstract :

The large majority of analytical NMR methods in chemistry or biochemistry are based on the quality of the chemical shift dispersion. The purpose of this work is to show that theoretical chemical shift back calculation starting from structures can be used to select molecular modeling structures in order to differentiate several conformational possibilities. Here we report the result of the chemical shift calculation carried out on two original structures corresponding to two DNA ’kissing complexes’. The 46 nucleotides sequence corresponds to the RNA deoxyribose analogous implied in the HIV-1(Lai) dimerization process.