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RNA function is intimately related to its structural dynamics. Molecular dynamics simulations are useful for exploring biomolecular flexibility but are severely limited by the accessible timescale. Enhanced sampling methods allow this…

Biomolecules · Quantitative Biology 2018-02-06 Vojtěch Mlýnský , Giovanni Bussi

We show the existence of a high interrelation between the different loops that may appear in a DNA segment. Conformational changes in a chain segment caused by the formation of a particular loop may either promote or prevent the appearance…

Biomolecules · Quantitative Biology 2009-03-24 Artur Garcia-Saez , J. Miguel Rubi

Correlation length exponent $\nu$ for long linear DNA molecules was determined by direct measurement of the average end-to-end distance as a function of the contour length $s$ by means of atomic force microscopy (AFM). Linear DNA, up to…

Soft Condensed Matter · Physics 2009-11-11 Francesco Valle , Melanie Favre , Paolo De Los Rios , Angelo Rosa , Giovanni Dietler

We explore in detail the structural, mechanical and thermodynamic properties of a coarse-grained model of DNA similar to that introduced in Thomas E. Ouldridge, Ard A. Louis, Jonathan P.K. Doye, Phys. Rev. Lett. 104 178101 (2010). Effective…

Biomolecules · Quantitative Biology 2013-06-25 Thomas E. Ouldridge , Ard A. Louis , Jonathan P. K. Doye

Starting with the results of Li et al. in 1992 there is valuable interest in finding long range correlations in dna sequences since it raises questions about the role of introns and intron-containing genes. In the present paper we studied…

Genomics · Quantitative Biology 2009-10-20 Sergio Conte , Alessandro Giuliani

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 extension of DNA confined to nanochannels has been studied intensively and in detail. Yet quantitative comparisons between experiments and model calculations are difficult because most theoretical predictions involve undetermined…

The paper that is commented by Touchette contains a computational study which opens the door to a desirable generalization of the standard large deviation theory (applicable to a set of $N$ nearly independent random variables) to systems…

Statistical Mechanics · Physics 2015-06-12 Guiomar Ruiz , Constantino Tsallis

We examine the elastic model of short circular DNA. We obtain analytic expressions for configurations, elastic energy, twist and linking number of our solutions. We find the onset of the plectonemic transition. We suggest ways to use our…

Soft Condensed Matter · Physics 2008-02-03 Boris Fain , Joseph Rudnick

We introduce a coarse-grained model of DNA with bases modeled as rigid-body ellipsoids to capture their anisotropic stereochemistry. Interaction potentials are all physicochemical and generated from all-atom simulation/parameterization with…

Soft Condensed Matter · Physics 2015-05-14 Alex Morriss-Andrews , Joerg Rottler , Steven S. Plotkin

Conformational change of a DNA molecule is frequently observed in multiple biological processes and has been modelled using a chain of strongly coupled oscillators with a nonlinear bistable potential. While the mechanism and properties of…

Biological Physics · Physics 2020-08-07 Soumyadip Banerjee , Kushal Shah , Shaunak Sen

Developing models with high interpretability and even deriving formulas to quantify relationships between biological data is an emerging need. We propose here a framework for ab initio derivation of sequence motifs and linear formula using…

Quantitative Methods · Quantitative Biology 2022-08-23 Chengyu Liu , Wei Wang

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

Quantum transport for DNA conduction has widely studied with interest in application as a candidate in making nanowires as well as interest in the scientific mechanism. In this paper, we review recent works with concerning the electronic…

Disordered Systems and Neural Networks · Physics 2015-03-13 Hiroaki Yamada , Kazumoto Iguchi

We obtain explicit expressions for the long range correlations in the ABC model and in diffusive models conditioned to produce an atypical current of particles.In both cases, the two-point correlation functions allow to detect the…

Statistical Mechanics · Physics 2011-11-29 T. Bodineau , B. Derrida , V. Lecomte , F. van Wijland

Cooperativity plays an important role in the action of proteins bound to DNA. A simple, mechanical mechanism for cooperativity, in the form of a tension-mediated interaction between proteins bound to DNA at two different locations is…

Soft Condensed Matter · Physics 2009-10-31 Joseph Rudnick , Robijn Bruinsma

The subject of this report is the dynamics of elastic system in conjunction with hydrogen bonds of the DNA. We draw attention to the draw-back of the familiar rod model of the DNA, and make a case of constructing models that could…

Soft Condensed Matter · Physics 2008-03-31 V. L. Golo

We consider force-induced unzipping transition for a heterogeneous DNA model with a long-range correlated base-sequence. It is shown that as compared to the uncorrelated situation, long-range correlations smear the unzipping…

Statistical Mechanics · Physics 2007-05-23 A. E. Allahverdyan , Zh. S. Gevorkian

This study presents the approach to analyzing the evolution of an arbitrary complex system whose behavior is characterized by a set of different time-dependent factors. The key requirement for these factors is only that they must contain an…

Data Analysis, Statistics and Probability · Physics 2020-12-01 Anatolii V. Mokshin , Vladimir V. Mokshin , Diana A. Mirziyarova

The mechanical properties of molecules are today captured by single molecule manipulation experiments, so that polymer features are tested at a nanometric scale. Yet devising mathematical models to get further insight beyond the commonly…