Repository logo
 

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

Published version
Peer-reviewed

Change log

Authors

Cragnolini, TBN 
Chakraborty, D 
Šponer, J 
Derreumaux, P 
Pasquali, S 

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.

Description

Keywords

DNA, G-Quadruplexes, Humans, Models, Molecular, Molecular Dynamics Simulation, Telomere, Thermodynamics

Journal Title

Journal of Chemical Physics

Conference Name

Journal ISSN

0021-9606
1089-7690

Volume Title

147

Publisher

AIP Publishing
Sponsorship
Engineering and Physical Sciences Research Council (EP/I001352/1)
Engineering and Physical Sciences Research Council (EP/N035003/1)
D.C. acknowledges the Cambridge Commonwealth, European and International Trusts for Ph.D. funding. T.C. acknowledges funding from EPSRC Grant No. EP/I001352/1. S.P. and P.D. acknowledge support from “DYNAMO” ANR- 11-LABX-0011 and PSL (Paris Sciences et Lettres). J.S. was supported by Czech Science Foundation Grant No. 16- 13721S. D.J.W. acknowledges funding from EPSRC Grant No. EP/N035003/1.
Relationships
Is supplemented by: