Modulation of the helical properties of DNA: next-to-nearest neighbour effects and beyond. Issue 9 (8th April 2019)

• Record Type: Journal Article
• Authors: Balaceanu, Alexandra; Buitrago, Diana; Walther, Jürgen; Hospital, Adam; Dans, Pablo D; Orozco, Modesto
• Is Part Of: Nucleic acids research. Volume 47:Issue 9(2019)
• Page Start: 4418
• Page End: 4430
• Publication Date: 2019-04-08
• Subjects: Nucleic acids -- Periodicals; Molecular biology -- Periodicals; 572.805
• DOI: 10.1093/nar/gkz255
• Languages: English
• ISSNs: 0305-1048

Abstract

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.