Pattabiraman N, Langridge R, Kollman P A
Department of Pharmaceutical Chemistry, School of Pharmacy, University of California, San Francisco 94143.
J Biomol Struct Dyn. 1984 Jun;1(6):1525-33. doi: 10.1080/07391102.1984.10507536.
An iterative approach, in which the effect of placing counter ions around DNA influences the electrostatic potential that the other subsequently approaching ions feel, has been used to place sodium ions around polynucleotides. The main focus of this report is to study the sequence and structure dependence on the distribution of ions around DNA, particularly that of tightly bound ions. The interesting results of the calculations are that there is significant sequence dependence on the electrostatic potentials in the B form of DNA, whereas relatively less difference in A form. In the case of Z form, the cations bridge the inter-stand phosphates along the minor groove.
一种迭代方法已被用于在多核苷酸周围放置钠离子，在这种方法中，在DNA周围放置抗衡离子的效应会影响其他随后接近的离子所感受到的静电势。本报告的主要重点是研究离子在DNA周围分布的序列和结构依赖性，特别是紧密结合离子的分布。计算的有趣结果是，在DNA的B型中，静电势存在显著的序列依赖性，而在A型中差异相对较小。在Z型的情况下，阳离子沿着小沟桥接链间磷酸基团。
