Modulation of the helical properties of DNA: next-to-nearest neighbour effects and beyond

TitleModulation of the helical properties of DNA: next-to-nearest neighbour effects and beyond
Publication TypeJournal Article
Year of Publication2019
AuthorsBalaceanu, Alexandra, Buitrago Diana, Walther Jurgen, Hospital Adam, Dans Pablo D., and Orozco Modesto
Date Published01/2019
Abstract

We used extensive molecular dynamics simulations to study the structural and dynamic properties of the central d(TpA) step in the highly polymorphic d(CpTpApG) tetranucleotide. Contrary to the assumption of the dinucleotide-model and its nearest neighbours (tetranucleotide-model), the properties of the central d(TpA) step change quite significantly dependent on the next-to-nearest (hexanucleotide) sequence context and in a few cases are modulated by even remote neighbours (beyond next-to-nearest from the central TpA). Our results highlight the existence of previously undescribed dynamical mechanisms for the transmission of structural information into the DNA and demonstrate the existence of certain sequences with special physical properties that can impact on the global DNA structure and dynamics.

URLhttps://doi.org/10.1093/nar/gkz255
DOI10.1093/nar/gkz255
Highlight: 
Review: