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Investigation of DNA denaturation in Peyrard-Bishop-Dauxois model by molecular dynamics method

The European Physical Journal B volume 92, Article number: 253 (2019) Cite this article

Abstract

The phase transition of (PolyA/PolyT)100 duplex into the denaturated state is studied in the Peyrard-Bishop-Dauxois model by the method of direct molecular-dynamical modeling. The temperature dependencies of the total energy and heat capacity of the duplex are calculated. The convergence of the dependence of heat capacity on the number of realizations is shown. The approach applied can be used to calculate the statistical properties of the duplexes of any length and nucleotide composition.

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Authors and Affiliations

  1. IMPB RAS, 1, Professor Vitkevich St., 142290, Pushchino, Moscow Region, Russia

    Ilya Viatcheslavovitch Likhachev & Victor Dmitrievitch Lakhno

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  1. Ilya Viatcheslavovitch Likhachev
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  2. Victor Dmitrievitch Lakhno
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Correspondence to Ilya Viatcheslavovitch Likhachev.

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Likhachev, I.V., Lakhno, V.D. Investigation of DNA denaturation in Peyrard-Bishop-Dauxois model by molecular dynamics method. Eur. Phys. J. B 92, 253 (2019). https://doi.org/10.1140/epjb/e2019-90741-6

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  • DOI: https://doi.org/10.1140/epjb/e2019-90741-6

Keywords

  • Statistical and Nonlinear Physics