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

Tristan Cragnolini, Debayan Chakraborty, J Šponer, P Derreumaux, S Pasquali & David Wales
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.
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