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

被引：25

作者：

Cragnolini, Tristan ^{[1
]}

Chakraborty, Debayan ^{[1
]}

Sponer, Jiri ^{[2
]}

Derreumaux, Philippe ^{[3
,4
]}

Pasquali, Samuela ^{[3
]}

Wales, David J. ^{[1
]}

机构：

[1] Univ Chem Labs, Lensfield Rd, Cambridge CB2 1EW, England

[2] Acad Sci Czech Republ, Inst Biophys, Kralovopolska 135, CS-61265 Brno, Czech Republic

[3] Univ Paris Diderot, CNRS, UPR 9080, Lab Biochim Theor,Sorbonne Paris Cite, IBPC 13 Rue Pierre & Marie Cu, F-75005 Paris, France

[4] Inst Univ France, Blvd Saint Michel, F-75005 Paris, France

来源：

JOURNAL OF CHEMICAL PHYSICS | 2017年 / 147卷 / 15期

基金：

英国工程与自然科学研究理事会;

关键词：

TELOMERIC G-QUADRUPLEX; GB1 HAIRPIN PEPTIDE; TRANSITION NETWORKS; HIDDEN COMPLEXITY; FOLDING PATHWAY; K+ SOLUTION; KINETICS; CLUSTERS; SURFACES; SIMULATIONS;

D O I：

10.1063/1.4997377

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. Published by AIP Publishing.

引用

页数：8

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