Thermal denaturation of a helicoidal DNA model

Maria Barbi, Stefano Lepri, Michel Peyrard, and Nikos Theodorakopoulos
Phys. Rev. E 68, 061909 – Published 23 December 2003
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Abstract

We study the static and dynamical properties of DNA in the vicinity of its melting transition, i.e., the separation of the two strands upon heating. The investigation is based on a simple mechanical model which includes the helicoidal geometry of the molecule and allows an exact numerical evaluation of its thermodynamical properties. Dynamical simulations of long-enough molecular segments allow the study of the structure factors and of the properties of the denaturated regions. Simulations of finite chains display the hallmarks of a first order transition for sufficiently long-ranged stacking forces although a study of the model’s “universality class” strongly suggests the presence of an “underlying” continuous transition.

  • Received 17 July 2003

DOI:https://doi.org/10.1103/PhysRevE.68.061909

©2003 American Physical Society

Authors & Affiliations

Maria Barbi*

  • Laboratoire de Physique Théorique des Liquides, Université Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex 05, France

Stefano Lepri

  • Istituto Nazionale per la Fisica della Materia, UdR Firenze, via G. Sansone 1, 50019 Sesto Fiorentino, Italy

Michel Peyrard

  • Laboratoire de Physique, École Normale Supérieure de Lyon, 46 Allée d’Italie, 69364 Lyon Cedex 07, France

Nikos Theodorakopoulos§

  • Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Vasileos Constantinou 48, Athens 11635, Greece

  • *Electronic address: barbi@lptl.jussieu.fr
  • Electronic address: stefano.lepri@unifi.it
  • Electronic address: Michel.Peyrard@ens-lyon.fr
  • §Electronic address: nth@eie.gr

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Issue

Vol. 68, Iss. 6 — December 2003

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