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Most of the anticancer drugs bind to double-stranded DNA (dsDNA) by intercalative-binding mode. Although experimental studies have become available recently, a molecular-level understanding of the interactions between the drug and dsDNA…

Soft Condensed Matter · Physics 2021-12-06 Anil Kumar Sahoo , Biman Bagchi , Prabal K. Maiti

In this letter, we study the structure-transport property relationships of small ligand intercalated DNA molecules using a multiscale modelling approach where extensive ab-initio calculations are performed on numerous MD-simulated…

The authors measure the persistence and contour lengths of DNA-psoralen complexes, as a function of psoralen concentration, for intercalated and crosslinked complexes. In both cases, the persistence length monotonically increases until a…

Biological Physics · Physics 2010-09-06 M. S. Rocha , A. D. Lúcio , S. S. Alexandre , R. W. Nunes , O. N. Mesquita

DNA is structurally and mechanically altered by the binding of intercalator molecules. Intercalation strongly affects the force-extension behavior of DNA, in particular the overstretching transition. We present a statistical model that…

DNA stretching experiments are usually interpreted using the worm-like chain model; the persistence length A appearing in the model is then interpreted as the elastic stiffness of the double helix. In fact the persistence length obtained by…

Soft Condensed Matter · Physics 2009-10-30 Philip Nelson

Helical molecules change their twist number under the effect of a mechanical load. We study the twist-stretch relation for a set of short DNA molecules modeled by a mesoscopic Hamiltonian. Finite temperature path integral techniques are…

Soft Condensed Matter · Physics 2017-09-19 Marco Zoli

The twisting deformation of mechanically stretched DNA molecules is studied by a coarse grained Hamiltonian model incorporating the fundamental interactions that stabilize the double helix and accounting for the radial and angular base pair…

Soft Condensed Matter · Physics 2017-12-15 Marco Zoli

We present an extensive theoretical investigation of the mechanical unzipping of double-stranded DNA under the influence of an applied force. In the limit of long polymers, there is a thermodynamic unzipping transition at a critical force…

Soft Condensed Matter · Physics 2009-11-07 David K. Lubensky , David R. Nelson

Structural changes in giant DNA induced by the addition of the flexible polymer PEG were examined by the method of single-DNA observation. In dilute DNA conditions, individual DNA assumes a compact state via a discrete coil-globule…

Soft Condensed Matter · Physics 2016-08-31 M. Kojima , K. Kuobo , K. Yoshikawa

The effective DNA-DNA interaction force is calculated by computer simulations with explicit tetravalent counterions and monovalent salt. For overcharged DNA molecules, the interaction force shows a double-minimum structure. The positions…

Biomolecules · Quantitative Biology 2009-11-10 E. Allahyarov , G. Gompper , H. Löwen

We have performed single molecule stretching experiments and dynamic light scattering (DLS) in order to characterize the interaction between the DNA molecule and the fluorescent stain GelRed. The results from single molecule stretching show…

Biological Physics · Physics 2014-08-14 F. A. P. Crisafuli , E. B. Ramos , M. S. Rocha

The flexibility of short DNA chains is investigated via computation of the average correlation function between dimers which defines the persistence length. Path integration techniques have been applied to confine the phase space available…

Soft Condensed Matter · Physics 2018-10-19 Marco Zoli

For an understanding of DNA elasticity at high mechanical loads (F > 30 pN), its helical nature needs to be taken into account, in the form of coupling between the twist and stretch degrees of freedom. The prevailing model for DNA…

Biological Physics · Physics 2016-06-29 Onno D. Broekmans , Graeme A. King , Greg J. Stephens , Gijs J. L. Wuite

The percentage and sequence of AT and GC base pairs and charges on the DNA backbone contribute significantly to the stiffness of DNA. This elastic property of DNA also changes with small interacting ligands. The single-molecule force…

Soft Condensed Matter · Physics 2017-02-02 Anurag Singh , Amar Nath Gupta

The mechanism of threshold elongation (overstretching) of DNA macromolecules under the action of external force is studied within the framework of phenomenological approach. When considering the task it is taken into account that…

Biomolecules · Quantitative Biology 2016-02-22 Sergey N. Volkov

The accurate knowledge of the elastic properties of single-stranded DNA (ssDNA) is key to characterize the thermodynamics of molecular reactions that are studied by force spectroscopy methods where DNA is mechanically unfolded. Examples…

Soft Condensed Matter · Physics 2021-10-19 X. Viader-Godoy , M. Manosas , F. Ritort

The chiral nature of DNA plays a crucial role in cellular processes. Here we use magnetic tweezers to explore one of the signatures of this chirality, the coupling between stretch and twist deformations. We show that the extension of a…

Biomolecules · Quantitative Biology 2009-09-29 Timothee Lionnet , Sylvain Joubaud , Richard Lavery , David Bensimon , Vincent Croquette

The distance-resolved effective interaction potential between two parallel DNA molecules is calculated by computer simulations with explicit tetravalent counterions and monovalent salt. Adding counterions first yields an attractive minimum…

Soft Condensed Matter · Physics 2009-11-10 E. Allahyarov , H. Löwen , G. Gompper

We considered a dsDNA polymer in which distribution of bases are random at the base pair level but ordered at a length of 18 base pairs and calculated its force elongation behaviour in the constant extension ensemble. The unzipping force…

Soft Condensed Matter · Physics 2007-05-23 Navin Singh , Yashwant Singh

The effect of electrostatic interactions on the stretching of DNA is investigated using a simple worm like chain model. In the limit of small force there are large conformational fluctuations which are treated using a self-consistent…

Soft Condensed Matter · Physics 2009-10-31 Namkyung Lee , D. Thirumalai
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