Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch

J Chem Phys. 2017 Oct 21;147(15):152715. doi: 10.1063/1.4997377.


We explore the energy landscape for a four-fold telomere repeat, obtaining interconversion pathways between six experimentally characterised G-quadruplex topologies. The results reveal a multi-funnel system, with a variety of intermediate configurations and misfolded states. This organisation is identified with the intrinsically multi-functional nature of the system, suggesting a new paradigm for the classification of such biomolecules and clarifying issues regarding apparently conflicting experimental results.

MeSH terms

  • DNA / chemistry*
  • DNA / genetics
  • G-Quadruplexes*
  • Humans
  • Models, Molecular
  • Molecular Dynamics Simulation
  • Telomere / chemistry
  • Telomere / genetics
  • Thermodynamics


  • DNA