Biopolym. Cell. 2006; 22(5):384-389.
Molecular Biophysics
Comprehensive conformational analysis of 2'-deoxyuridine by quantum-chemical density functional method
1Zhurakivsky R. O., 2Hovorun D. M.
  1. Taras Shevchenko National University of Kyiv
    64, Volodymyrska Str., Kyiv, Ukraine, 01033
  2. 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

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