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We investigate the charge transfer characteristics of one and two excess charges in a DNA base-pair dimer using a model Hamiltonian approach. The electron part comprises diagonal and off-diagonal Coulomb matrix elements such a correlated…

Strongly Correlated Electrons · Physics 2015-05-14 Sabine Tornow , Ralf Bulla , Frithjof B. Anders , Gertrud Zwicknagl

We present numerical results on the temperature dependence of the distribution of bubble lengths in DNA segments of various guanine-cytosine (GC) concentrations. Base-pair openings are described by the Peyrard-Bishop-Dauxois model and the…

Biomolecules · Quantitative Biology 2009-06-26 G. Kalosakas , S. Ares

In this paper we report direct measurement of large low frequency temperature fluctuations in double stranded (ds) DNA when it undergoes thermal denaturation transition. The fluctuation, which occurs only in the temperature range where the…

Statistical Mechanics · Physics 2007-05-23 K. S. Nagapriya , A. K. Raychaudhuri , Dipankar Chatterji

A barrier penetration model has been proposed to explain the spontaneous melting of the DNA oligomers into two separate single strands whereas the partially melted intermediate states are shown to be the bound state solution of the same…

Quantitative Methods · Quantitative Biology 2007-05-23 Ajit Kumar Mohanty

We study the melting of a double stranded DNA in the presence of stretching forces, via 3D Monte-Carlo simulations, exactly solvable models and heuristic arguments. The resulting force-temperature phase diagram is dramatically different for…

Soft Condensed Matter · Physics 2008-07-22 D. Marenduzzo , A. Maritan , E. Orlandini , F. Seno , A. Trovato

The relationship of base pair openings to DNA flexibility is examined. Published experimental data on the temperature dependence of the persistence length by two different groups are well described in terms of an inhomogeneous Kratky-Porot…

Statistical Mechanics · Physics 2012-02-20 Nikos Theodorakopoulos , Michel Peyrard

Unbinding of a double-stranded DNA reduces to an unscreened long range interaction and maps on various problems. Heterogeneity renormalizes interaction. Renormalization is temperature dependent. At an unbinding transition it approaches…

Statistical Mechanics · Physics 2007-05-23 Mark Ya. Azbel'

We study the static and dynamical properties of DNA in the vicinity of its melting transition, i.e. the separation of the two strands upon heating. The investigation is based on a simple mechanical model which includes the helicoidal…

Statistical Mechanics · Physics 2007-06-19 Maria Barbi , Stefano Lepri , Michel Peyrard , Nikos Theodorakopoulos

DNA is an astonishing material that can be used as a molecular building block to construct periodic arrays and devices with nanoscale accuracy and precision. Here, we present simple bead-spring model of DNA nanostars having three, four and…

Soft Condensed Matter · Physics 2021-10-22 Supriyo Naskar , Dhiraj Bhatia , Shiang-Tai Lin , Prabal K. Maiti

Double stranded DNA chain is known to have nontrivial elasticity. We study the effect of this elasticity on the denaturation profile of DNA oligomer by constraining one base pair at one end of the oligomer to remain in unstretched (or…

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

As sections of a strand duplexed DNA denature when exposed to high temperature, the excess linking number is taken up by the undenatured portions of the molecule. The mechanical energy that arises because of the overwinding of the…

Soft Condensed Matter · Physics 2009-11-07 Joseph Rudnick , Robijn Bruinsma

We propose a new statistical mechanics model for the melting transition of DNA. Base pairing and stacking are treated as separate degrees of freedom, and the interplay between pairing and stacking is described by a set of local rules which…

Soft Condensed Matter · Physics 2007-05-23 Vassili Ivanov , Dmitri Piontkovski , Giovanni Zocchi

Using the criterion that the mechanical unzipping transition in a bound homopolymer is triggered when the average force exerted by the single unbound strands on the first base pair in the bound section exceeds the force binding the pair…

Soft Condensed Matter · Physics 2007-05-23 Richard M. Neumann

DNA hybridization is a fundamental reaction with wide-ranging applications in biotechnology. The nearest-neighbor (NN) model provides the most reliable description of the energetics of duplex formation. Most DNA thermodynamics studies have…

Biomolecules · Quantitative Biology 2024-04-30 Paolo Rissone , Marc Rico-Pasto , Steve Smith , Felix Ritort

We investigate by Monte Carlo simulations the zipping and unzipping dynamics of two polymers connected by one end and subject to an attractive interaction between complementary monomers. In zipping, the polymers are quenched from a high…

Soft Condensed Matter · Physics 2011-02-15 Alessandro Ferrantini , Enrico Carlon

The thermodynamic properties for three different types of off-lattice four-strand beta-sheet protein models interacting via a hybrid Go-type potential have been investigated. Discontinuous molecular dynamic simulations have been performed…

Biological Physics · Physics 2009-11-07 Hyunbum Jang , Carol K. Hall , Yaoqi Zhou

While the statistical mechanical description of DNA has a long tradition, renewed interest in DNA melting from a physics perspective is nourished by measurements of the fluctuation dynamics of local denaturation bubbles by single molecule…

Biomolecules · Quantitative Biology 2009-11-13 Tobias Ambjornsson , Suman K. Banik , Oleg Krichevsky , Ralf Metzler

The interplay of dynamical nuclear polarization (DNP) and leakage current through a double quantum dot in the spin-blockade regime is analyzed. A finite DNP is built up due to a competition between hyperfine (HF) spin-flip transitions and…

Mesoscale and Nanoscale Physics · Physics 2013-07-30 Anders Mathias Lunde , Carlos López-Monís , Ioanna A. Vasiliadou , Luis L. Bonilla , Gloria Platero

Charge transfer in a DNA duplex chain is studied by constructing a system with virtual electrodes connected at the ends of each DNA strand. The systeym is described by the tight-binding model and its transport is analyzed by the transfer…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 X. F. Wang , Tapash Chakraborty

A mesoscopic model for heterogeneous DNA denaturation is developed in the framework of the path integral formalism. The base pair stretchings are treated as one-dimensional, time dependent paths contributing to the partition function. The…

Soft Condensed Matter · Physics 2011-07-12 Marco Zoli