D. Galisteo et al., CONFORMATIONAL COMPARATIVE-ANALYSIS OF PYRIMIDINE NUCLEOSIDE DERIVATIVES BY MOLECULAR MECHANICS CALCULATIONS AND BY SEMIEMPIRICAL METHODS (AM1), Journal of molecular structure, 384(1), 1996, pp. 25-33
A conformational comparative analysis of some 2' and 2',3'-dideoxypyri
midine nucleosides 4'-substituted analogues was carried out by molecul
ar mechanics and molecular orbital calculations. The influence of modi
fications at the C6 of the pyrimidine ring with respect to the relativ
e position of the glycosidic link has been studied by both methods. Th
e charge distribution of these compounds was calculated by the semiemp
irical method neglect of diatomic differential overlap.