Divalent Ion-Mediated DNA-DNA Interactions: A Comparative Study of Triplex and Duplex.

ABSTRACT: Ion-mediated interaction between DNAs is essential for DNA condensation, and it is generally believed that monovalent and nonspecifically binding divalent cations cannot induce the aggregation of double-stranded (ds) DNAs. Interestingly, recent experiments found that alkaline earth metal ions such as Mg²⁺ can induce the aggregation of triple-stranded (ts) DNAs, although there is still a lack of deep understanding of the surprising findings at the microscopic level. In this work, we employed all-atom dynamic simulations to directly calculate the potentials of mean force (PMFs) between tsDNAs, between dsDNAs, and between tsDNA and dsDNA in Mg²⁺ solutions. Our calculations show that the PMF between tsDNAs is apparently attractive and becomes more strongly attractive at h

SUBMITTER: Zhang ZL 

PROVIDER: S-EPMC5549645 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature