Theoretical investigation of the triphosphate forms of azidothymidine and thymidine.
نویسندگان
چکیده
In this paper we investigate (using AM1 semi-empirical as well as HF methods at the STO-3G, 3-21G, 6-31G, 6-31G* and 6-31+G** level) the conformations, geometrical parameters, Mulliken charges, and solvation effects of the triphosphate form of AZT (AZTTP), as well as the thymidine nucleotide (dTTP) structure. Our calculated geometrical parameters and Mulliken charges, with and without solvation effects, are correlated with recent experimental results.
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ورودعنوان ژورنال:
- Journal of biochemistry and molecular biology
دوره 36 3 شماره
صفحات -
تاریخ انتشار 2003