Conformational Studies on Nucleosides with Furanose Ring Modifications. 1.

Rao, Shashidhar N.

doi:10.1080/07328319808004676

Cited by 6 publications

(1 citation statement)

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“…Preliminary models of 1 (illustrated below schematically) were built using MacroModel (v5.0) and energy refined with the MM2 force field (Mohmadi et al, 1990). The nomenclature adopted for describing the atom names and torsion angles is as described earlier (Rao, 1995;1998). Multiple conformations of 1 were generated by varying the torsions (O1Ј-C1Ј-N9-C8) and ␥ (C3Ј-C4Ј-C5Ј-O5Ј) (illustrated below) at 10°interval.…”

Section: Methodsmentioning

confidence: 99%

Molecular Mechanics Studies on the Conformations of 2′,3′-Dideoxy-2′,3′-Didehydroguanine Nucleoside, D4G

Rao¹

1998

Biophysical Journal

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Conformational energy calculations have been presented on guanine nucleoside in which the furanose ring is replaced by 2',3'-dideoxy-2',3'-didehydrofuran using molecular mechanics and conformational analysis. Conformational energies have been evaluated using the MM2 and AMBER94 force field parameters at two different dielectric constants. The results are presented in terms of isoenergy contours in the conformational space of the glycosidic (chi) and C4'-C5' (gamma) bonds torsions. In general, the chi-gamma interrelationships differ from the corresponding plots for unmodified nucleosides and nucleotides, reported previously. Consistency of the calculated preferred conformations with the x-ray data is sensitive to the force field employed.

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Section: Methodsmentioning

confidence: 99%