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On the structure and stretching of microhydrated DNA

机译:关于微水合DNA的结构和拉伸

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摘要

The structure of short double-stranded DNA oligomers in complex with varied amounts of water is investigated with classical molecular dynamics. Free simulations are performed first and mechanical stress is switched on afterward, resembling the conditions of single-molecule conductivity experiments. Water as well as counterions are seen to contribute to the stabilization of double-stranded DNA structure, and a collapse of the native DNA structure is observed upon the removal of a certain amount of water. Pulling with a moderate external force provides additional support to the double-stranded DNA structure, whereas larger forces lead to the overstretching transition followed by the separation of DNA strands, in a manner similar to that observed in fully hydrated DNA.
机译:用经典的分子动力学研究了在具有不同水量的复合物中短双链DNA寡聚物的结构。首先进行免费模拟,然后打开机械应力,类似于单分子电导率实验的条件。观察到水以及抗衡离子有助于稳定双链DNA结构,并且在除去一定量的水后观察到天然DNA结构的崩溃。用适度的外力拉动可为双链DNA结构提供额外的支撑,而较大的力会导致过度拉伸转变,然后分离DNA链,其方式类似于在完全水合的DNA中观察到的方式。

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