Structural Basis for Elastic Mechanical Properties of the DNA Double Helix

PLoS One. 2016 Apr 7;11(4):e0153228. doi: 10.1371/journal.pone.0153228. eCollection 2016.

Abstract

In this article, we investigate the principal structural features of the DNA double helix and their effects on its elastic mechanical properties. We develop, in the pursuit of this purpose, a helical continuum model consisting of a soft helical core and two stiff ribbons wrapping around it. The proposed model can reproduce the negative twist-stretch coupling of the helix successfully as well as its global stretching, bending, and torsional rigidities measured experimentally. Our parametric study of the model using the finite element method further reveals that the stiffness of phosphate backbones is a crucial factor for the counterintuitive overwinding behavior of the duplex and its extraordinarily high torsional rigidity, the major-minor grooves augment the twist-stretch coupling, and the change of the helicity might be responsible for the transition from a negative to a positive twist-stretching coupling when a tensile force is applied to the duplex.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Biomechanical Phenomena
  • DNA / chemistry*
  • Elasticity*
  • Finite Element Analysis
  • Humans
  • Models, Molecular*
  • Molecular Dynamics Simulation
  • Nucleic Acid Conformation*

Substances

  • DNA

Grants and funding

National Research Foundation of Korea (No. 2013R1A1A1010626, http://www.nrf.re.kr) supported DK and YK; and Ministry of Science, ICT and Future Planning (No. CAMM-2014M3A6B3063711, http://english.msip.go.kr) supported DK and YK.