迪克森B型DNA十二聚体d（CpGpCpGpApApTpTpCpGpCpG）的分子静电势、空间可及性和水合作用
The molecular electrostatic potential, steric accessibility and hydration of Dickerson's B-DNA dodecamer d(CpGpCpGpApApTpTpCpGpCpG).
作者信息
Lavery R, Pullman B
出版信息
Nucleic Acids Res. 1981 Aug 11;9(15):3765-77. doi: 10.1093/nar/9.15.3765.
Abstract
The paper presents the results of computation of the electrostatic potential and steric accessibility of the B-DNA self-complementary dodecamer CGCGAATTCGCG following the geometry of the recent single crystal structure of Dickerson et al. This structure shows significant variations from classical B-DNA; their influences on the calculated properties are discussed. The results are related to general features of hydration of the crystal. A particularly significant general finding concerns the greater negative potential in the center of the oligonucleotide helix than at its extremities. This will be a general feature of such short helices, independent of their base sequence. It may have important implications for the reactivity of DNA oligomers.
摘要
本文呈现了按照迪克森等人近期单晶结构的几何形状对B-DNA自互补十二聚体CGCGAATTCGCG的静电势和空间可及性进行计算的结果。该结构与经典B-DNA存在显著差异；讨论了它们对计算性质的影响。结果与晶体水化的一般特征相关。一个特别显著的普遍发现是，寡核苷酸螺旋中心的负电势比其末端更大。这将是此类短螺旋的一个普遍特征，与它们的碱基序列无关。它可能对DNA寡聚物的反应性具有重要意义。
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