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Loops are essential secondary structure elements in folded DNA and RNA molecules and proliferate close to the melting transition. Using a theory for nucleic acid secondary structures that accounts for the logarithmic entropy c ln m for a…

Statistical Mechanics · Physics 2011-05-02 Thomas R. Einert , Henri Orland , Roland R. Netz

At present, there have been suggested two types of physical mechanism that may facilitate preferential pairing between DNA molecules, with identical or similar base pair texts, without separation of base pairs. One solely relies on base…

Biological Physics · Physics 2017-11-06 Dominic. J. , Lee

We compare results of previous simulations of a simple model of DNA denaturation to the predictions of the Poland-Scheraga model. Concentrating on the critical region of the latter model we calculate both thermodynamic quantities and the…

Statistical Mechanics · Physics 2007-05-23 Lothar Schäfer

Quantifying interactions in DNA microarrays is of central importance for a better understanding of their functioning. Hybridization thermodynamics for nucleic acid strands in aqueous solution can be described by the so-called…

Biomolecules · Quantitative Biology 2010-01-06 J. Hooyberghs , P. Van Hummelen , E. Carlon

We discuss possible mechanisms that may impact the order of the transition between denaturated and bound DNA states and lead to changes in the scaling laws that govern conformational properties of DNA strands. To this end, we re-consider…

Soft Condensed Matter · Physics 2021-04-07 Yulian Honchar , Christian von Ferber , Yurij Holovatch

The hybridization and dehybridization of DNA subject to tension is relevant to fundamental genetic processes and to the design of DNA-based mechanobiology assays. While strong tension accelerates DNA melting and decelerates DNA annealing,…

Biological Physics · Physics 2022-04-20 Derek J. Hart , Jiyoun Jeong , James C. Gumbart , Harold D. Kim

We numerically study the binary disordered Poland-Scheraga model of DNA denaturation, in the regime where the pure model displays a first order transition (loop exponent $c=2.15>2$). We use a Fixman-Freire scheme for the entropy of loops…

Disordered Systems and Neural Networks · Physics 2007-05-23 Thomas Garel , Cecile Monthus

We study numerically the effect of sequence heterogeneity on the thermodynamic properties of a Poland-Scheraga model for DNA denaturation taking into account self-avoidance, i.e. with exponent c_p=2.15 for the loop length probability…

Disordered Systems and Neural Networks · Physics 2016-05-06 Barbara Coluzzi , Edouard Yeramian

We study the parameter sensitivity of hetero-polymeric DNA within the purview of DNA breathing dynamics. The degree of correlation between the mean bubble size and the model parameters are estimated for this purpose for three different DNA…

Biomolecules · Quantitative Biology 2014-03-27 Srijeeta Talukder , Shrabani Sen , Prantik Chakraborti , Ralf Metzler , Suman K Banik , Pinaki Chaudhury

We describe a faster and more accurate algorithm for computing the statistical mechanics of DNA denaturation according to the Poland-Scheraga type. Nearest neighbor thermodynamics is included in a complete and general way. The algorithm…

Biomolecules · Quantitative Biology 2007-05-23 E. Tostesen , F. Liu , T. -K. Jenssen , E. Hovig

We investigate the kinetics of the DNA melting transition using modified versions of the Peyrard-Dauxois-Bishop and Poland-Scheraga models that include long and short range interactions. Using Brownian dynamics and Monte Carlo simulations,…

Other Condensed Matter · Physics 2007-05-23 Aaron Santos , William Klein

High-density oligonucleotide arrays are among the most rapidly expanding technologies in biology today. In the {\sl GeneChip} system, the reconstruction of the target concentration depends upon the differential signal generated from…

Biological Physics · Physics 2009-11-07 Felix Naef , Daniel A. Lim , Nila Patil , Marcelo Magnasco

While the thermodynamics of DNA hybridization is well understood, much less is known about the kinetics of this classic system. Filling this gap in our understanding has new urgency because DNA nanotechnology often depends critically on…

Soft Condensed Matter · Physics 2013-10-28 Thomas E. Ouldridge , Petr Šulc , Flavio Romano , Jonathan P. K. Doye , Ard A. Louis

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

We present a generic model for DNA at the base-pair level. We use a variant of the Gay-Berne potential to represent the stacking energy between neighboring base-pairs. The sugar-phosphate backbones are taken into account by semi-rigid…

Soft Condensed Matter · Physics 2009-11-10 Boris Mergell , Mohammad R. Ejtehadi , Ralf Everaers

The two strands of a DNA molecule with a repetitive sequence can pair into many different basepairing patterns. For perfectly periodic sequences, early bulk experiments of Poerschke indicate the existence of a sliding process, permitting…

Biomolecules · Quantitative Biology 2007-05-23 Richard A. Neher , Ulrich Gerland

Base stacking is crucial in nucleic acid stabilization, from DNA duplex hybridization to single-stranded DNA (ssDNA) protein binding. While stacking energies are tiny in ssDNA, they are inextricably mixed with hydrogen bonding in DNA base…

Soft Condensed Matter · Physics 2024-11-19 Xavier Viader-Godoy , Maria Manosas , Felix Ritort

We introduce a coarse-grained rigid nucleotide model of DNA that reproduces the basic thermodynamics of short strands: duplex hybridization, single-stranded stacking and hairpin formation, and also captures the essential structural…

Soft Condensed Matter · Physics 2010-05-14 Thomas E. Ouldridge , Ard A. Louis , Jonathan P. K. Doye

We present a precise equivalence of the Lifson-Poland-Scheraga model with wetting models. Making use of a representation of the former model in terms of random matrices, we obtain, in the limit of weak disorder, a mean--field approximation,…

Statistical Mechanics · Physics 2015-06-05 Hervé Kunz , Roberto Livi

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