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The distribution of bubble lengths in double-stranded DNA is presented for segments of varying guanine-cytosine (GC) content, obtained with Monte Carlo simulations using the Peyrard-Bishop-Dauxois model at 310 K. An analytical description…

Biomolecules · Quantitative Biology 2007-05-23 S. Ares , G. Kalosakas

Relative lifetimes of inherent double stranded DNA openings with lengths up to ten base pairs are presented for different gene promoters and corresponding mutants that either increase or decrease transcriptional activity, in the framework…

Biomolecules · Quantitative Biology 2021-09-15 M Hillebrand , G Kalosakas , A R Bishop , Ch Skokos

We investigate the distribution of bubble lifetimes and bubble lengths in DNA at physiological temperature, by performing extensive molecular dynamics simulations with the Peyrard-Bishop-Dauxois (PBD) model, as well as an extended version…

Biological Physics · Physics 2021-01-04 Malcolm Hillebrand , George Kalosakas , Haris Skokos , Alan Bishop

It appears that thermally activated DNA bubbles of different sizes play central roles in important genetic processes. Here we show that the probability for the formation of such bubbles is regulated by the number of soft AT pairs in…

Soft Condensed Matter · Physics 2007-05-23 Z. Rapti , A. Smerzi , K. Ø. Rasmussen , A. R. Bishop

The local opening of DNA is an intriguing phenomenon from a statistical physics point of view, but is also essential for its biological function. For instance, the transcription and replication of our genetic code can not take place without…

Biological Physics · Physics 2009-11-13 Titus S. van Erp , Santiago Cuesta-Lopez , Michel Peyrard

It has been speculated that bubble formation of several base-pairs due to thermal fluctuations is indicatory for biological active sites. Recent evidence, based on experiments and molecular dynamics (MD) simulations using the…

Biological Physics · Physics 2009-11-11 Titus S. van Erp , Santiago Cuesta-Lopez , Johannes-Geert Hagmann , Michel Peyrard

The damping effect to the DNA bubble is investigated within the Peyrard-Bishop model. In the continuum limit, the dynamics of the bubble of DNA is described by the damped nonlinear Schrodinger equation and studied by means of variational…

Biomolecules · Quantitative Biology 2012-06-25 A. Sulaiman , F. P. Zen , H. Alatas , L. T. Handoko

The formation of local denaturation zones (bubbles) in double-stranded DNA is an important example for conformational changes of biological macromolecules. We study the dynamics of bubble formation in terms of a Fokker-Planck equation for…

Soft Condensed Matter · Physics 2009-11-10 Andreas Hanke , Ralf Metzler

We investigate DNA breathing dynamics by suggesting and examining several different Brownian functionals associated with bubble lifetime and reactivity. Bubble dynamics is described as an overdamped random walk in the number of broken base…

Soft Condensed Matter · Physics 2013-12-04 Malay Bandyopadhyay , Shamik Gupta , Dvira Segal

We propose a nonlinear model derived from first principles, to describe bubble dynamics of DNA. Our model equations include a term derived from the dissipative effect of intermolecular vibrational modes. Such modes are excited by the…

Soft Condensed Matter · Physics 2007-05-23 Natalia Komarova , Avy Soffer

The onset of intermediate states (denaturation bubbles) and their role during the melting transition of DNA are studied using the Peyrard-Bishop-Daxuois model by Monte Carlo simulations with no adjustable parameters. Comparison is made with…

Statistical Mechanics · Physics 2009-11-10 S. Ares , N. K. Voulgarakis , K. O. Rasmussen , A. R. Bishop

We propose a model for the fluctuation dynamics of the local denaturation zones (bubbles) in double-stranded DNA. In our formulation, the DNA strand is model as a one dimensional Rouse chain confined at both the ends. The bubble is formed…

Soft Condensed Matter · Physics 2014-06-25 Rajarshi Chakrabarti

Understanding the inherent timescales of large bubbles in DNA is critical to a thorough comprehension of its physicochemical characteristics, as well as their potential role on helix opening and biological function. In this work we employ…

Biological Physics · Physics 2022-08-12 Malcolm Hillebrand , George Kalosakas , Alan R Bishop , Charalampos Skokos

The equilibrium statistical properties of DNA denaturation bubbles are examined in detail within the framework of the Peyrard-Bishop-Dauxois model. Bubble formation in homogeneous DNA is found to depend crucially on the presence of…

Statistical Mechanics · Physics 2008-03-26 Nikos Theodorakopoulos

A simple Langevin approach is used to study stationary properties of the Peyrard-Bishop-Dauxois model for DNA, allowing known properties to be recovered in an easy way. Results are shown for the denaturation transition in homogeneous…

Soft Condensed Matter · Physics 2009-11-13 Francisco de los Santos , Omar Al Hammal , Miguel Angel Munoz

The paper deals with the two-state (opening-closing of base pairs) model used to describe the fluctuation dynamics of a single bubble formation. We present an exact solution for the discrete and finite size version of the model that…

Soft Condensed Matter · Physics 2009-11-10 D. J. Bicout , E. Kats

We obtain, using transfer matrix methods, the distribution function $P(R)$ of the end-to-end distance, the loop formation probability and force-extension relations in a model for short double-stranded DNA molecules. Accounting for the…

Soft Condensed Matter · Physics 2009-11-10 P. Ranjith , P. B. Sunil Kumar , Gautam I. Menon

The formation of bubble defects of the double stranded DNA is treated according to the Lifshits theory of disordered chains. A molecule of the DNA is modelled on a harmonic lattice with nearest neighbour interaction, elastic constants being…

Soft Condensed Matter · Physics 2009-08-14 V. Blinov , V. L. Golo

After crossing an initial barrier to break the first base-pair (bp) in double-stranded DNA, the disruption of further bps is characterized by free energies between less than one to a few kT. This causes the opening of intermittent…

Statistical Mechanics · Physics 2015-06-25 Tobias Ambjornsson , Suman K Banik , Michael A Lomholt , Ralf Metzler

The paper uses mesoscopic, non-linear lattice dynamics based (Peyrard-Bishop-Dauxois, PBD) modeling to describe thermal properties of DNA below and near the denaturation temperature. Computationally efficient notation is introduced for the…

Statistical Mechanics · Physics 2015-03-18 Nikos Theodorakopoulos
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