Biopolym. Cell. 2006; 22(5):384-389.
Molecular Biophysics
Comprehensive conformational analysis of 2'-deoxyuridine by quantum-chemical density functional method
- Taras Shevchenko National University of Kyiv
64, Volodymyrska Str., Kyiv, Ukraine, 01033 - Institute of Molecular Biology and Genetics, NAS of Ukraine
150, Akademika Zabolotnoho Str., Kyiv, Ukraine, 03680
Abstract
The comprehensive conformational analysis of minor nucleoside 2'-deoxyuridine is first performed by means of quantum-chemical density functional method on MP2/6-311++G(d, p)//DFT B3LYP/6-31G(d, p) theory level. The main geometric, energetic, and polar characteristics are presented for all of its 94 stable conformers as well as conformational equilibriums at normal conditions
Keywords: conformational analysis, nucleosides, deoxyuridine, quantum-chemical method
Full text: (PDF, in Ukrainian)
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