Login / Signup

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

Tristan CragnoliniDebayan ChakrabortyJiří ŠponerPhilippe DerreumauxSamuela PasqualiDavid J Wales
Published in: The Journal of chemical physics (2018)
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.
Keyphrases
  • single cell
  • single molecule
  • machine learning
  • drug delivery
  • deep learning
  • circulating tumor
  • genome wide
  • cell free
  • cancer therapy