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Title: Modulation of the helical properties of DNA: next-to-nearest neighbour effects and beyond
Author: Balaceanu, Alexandra
Buitrago, Diana
Walther, Jürgen
Hospital Gasch, Adam
Dans, Pablo D.
Orozco López, Modesto
Keywords: Biologia computacional
Dinàmica molecular
Computational biology
Molecular dynamics
Issue Date: 8-Apr-2019
Publisher: Oxford University Press
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.
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It is part of: Nucleic Acids Research, 2019, vol. 47, num. 9, p. 4418-4430
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Appears in Collections:Articles publicats en revistes (Institut de Recerca Biomèdica (IRB Barcelona))
Articles publicats en revistes (Bioquímica i Biomedicina Molecular)

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