|Title||Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch.|
|Publication Type||Journal Article|
|Year of Publication||2017|
|Authors||Cragnolini T, Chakraborty D, Sponer J, Derreumaux P, Pasquali S, Wales DJ|
|Journal||J Chem Phys|
|Date Published||2017 Oct 21|
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.
|Alternate Journal||J Chem Phys|