ArticleThe journal of physical chemistry. B2014
An investigation of G-quadruplex structural polymorphism in the human telomere using a combined approach of hydrodynamic bead modeling and molecular dynamics simulation.
Article in The journal of physical chemistry. B, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- Exploring Nucleic Acid Structure and Function with Molecular Dynamics and Fragment Molecular Orbital Methods.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Probing the Effects of Chemical Modifications on Anticoagulant and Antiproliferative Activity of Thrombin Binding Aptamer.International journal of molecular sciences · 2024Article
- The Binding Pocket at the Interface of Multimeric Telomere G-quadruplexes: Myth or Reality?Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
- Supramolecular Polymorphism of (GInternational journal of molecular sciences · 2021Article
- Structure of two G-quadruplexes in equilibrium in the KRAS promoter.Nucleic acids research · 2020Article
- The hTERT core promoter forms three parallel G-quadruplexes.Nucleic acids research · 2020Article
- Polarizable Molecular Dynamics Simulations of TwoJournal of chemical theory and computation · 2020Article
- Exploiting σ-hole interaction to design small uncharged ligand molecules to stabilize G-quadruplex-DNA: a computational study.Journal of molecular modeling · 2020Article
- Article
- Folding dynamics and conformational heterogeneity of human telomeric G-quadruplex structures in Na+ solutions by single molecule FRET microscopy.Nucleic acids research · 2016Article
- Extended molecular dynamics of a c-kit promoter quadruplex.Nucleic acids research · 2015Article
- Site specific replacements of a single loop nucleoside with a dibenzyl linker may switch the activity of TBA from anticoagulant to antiproliferative.Nucleic acids research · 2015Article
- Separation of Quadruplex Polymorphism in DNA Sequences by Reversed-Phase Chromatography.Current protocols in nucleic acid chemistry · 2015Article
- Hydrodynamic Models of G-Quadruplex Structures.Methods in enzymology · 2015Article
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
Guanine-rich oligonucleotides can adopt noncanonical tertiary structures known as G-quadruplexes, which can exist in different forms depending on experimental conditions. High-resolution structural methods, such as X-ray crystallography and NMR spectroscopy, have been of limited usefulness in resolving the inherent structural polymorphism associated with G-quadruplex formation. The lack of, or the ambiguous nature of, currently available high-resolution structural data, in turn, has severely hindered investigations into the nature of these structures and their interactions with small-molecule inhibitors. We have used molecular dynamics in conjunction with hydrodynamic bead modeling to study the structures of the human telomeric G-quadruplex-forming sequences at the atomic level. We demonstrated that molecular dynamics can reproduce experimental hydrodynamic measurements and thus can be a powerful tool in the structural study of existing G-quadruplex sequences or in the prediction of new G-quadruplex structures.
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