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 |