Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch
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Peer-reviewed
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Article
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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.
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Keywords
DNA, G-Quadruplexes, Humans, Models, Molecular, Molecular Dynamics Simulation, Telomere, Thermodynamics
Journal Title
Journal of Chemical Physics
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Journal ISSN
0021-9606
1089-7690
1089-7690
Volume Title
147
Publisher
AIP Publishing
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Sponsorship
Engineering and Physical Sciences Research Council (EP/I001352/1)
Engineering and Physical Sciences Research Council (EP/N035003/1)
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.