Title:
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Modulation of the helical properties of DNA: next-to-nearest neighbour effects and beyond
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Author:
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Balaceanu, Alexandra; Buitrago, Diana; Walther, Jürgen; Hospital Gasch, Adam; Dans, Pablo D.; Orozco López, Modesto
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Other authors:
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Universitat de Barcelona |
Abstract:
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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. |
Subject(s):
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-Biologia computacional -Dinàmica molecular -Computational biology -Molecular dynamics |
Rights:
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cc by (c) Balaceanu et al., 2019
http://creativecommons.org/licenses/by/3.0/es/ |
Document type:
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Article Article - Published version |
Published by:
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Oxford University Press
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