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[用原子-原子势函数法对DNA的A-和B-型进行优化]

[Refinement of the A- and B-forms of DNA by the atom-atomic potential founctions method].

作者信息

Il'icheva I A, Tumanian V G, Kister A E, Dashevskiĭ V G

出版信息

Biofizika. 1977 Nov-Dec;22(6):1108-11.

PMID:588616
Abstract

Structures of poly(dA). poly(dT), poly[d(A-T)].poly[d(T-A)], and poly (dG). poly (dC) were refined by an empirical method, taking into account flexible sugar moieties and simmetry conditions of DNA. The energetical optimal forms were found using Arnott's forms as starting points. These forms were shown to depend only slightly on the polynucleotide type and sequence, and characterized by C(2') endo-C(3') endo and the polynucleotide type and sequence, and characterized by C(2') endo-C(3') endo and C(3') endo and C(3') endo-C(2') endo sugar conformations. The resulting structures have the helix parameters corresponding to X-ray findings and characterized by augment resemblance between structural parameters (dichedral angles and sugar conformation) of A- and B-basic DNA forms.

摘要

聚(dA)·聚(dT)、聚[d(A-T)]·聚[d(T-A)]和聚(dG)·聚(dC)的结构通过一种经验方法进行了优化,该方法考虑了DNA的柔性糖基部分和对称性条件。以阿诺特形式为起点找到了能量最优形式。这些形式显示仅略微依赖于多核苷酸类型和序列,并以C(2')内式-C(3')内式以及多核苷酸类型和序列为特征,同时具有C(3')内式和C(3')内式-C(2')内式糖构象。所得结构具有与X射线结果相对应的螺旋参数,并以A-型和B-型基本DNA形式的结构参数(二面角和糖构象)之间增强的相似性为特征。

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