| 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 | 
| Volume | 147 | 
| Issue | 15 | 
| Pagination | 152715 | 
| Date Published | 2017 Oct 21 | 
| ISSN | 1089-7690 | 
| Abstract | 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. | 
| DOI | 10.1063/1.4997377 | 
| Alternate Journal | J Chem Phys | 
| Citation Key | 2017|2037 | 
| PubMed ID | 29055346 | 
