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While the behavior of double stranded DNA at mesoscopic scales is fairly well understood, less is known about its relation to the rich mechanical properties in the base-pair scale, which is crucial, for instance, to understand DNA-protein…

Soft Condensed Matter · Physics 2025-02-03 Yair Augusto Gutierrez Fosado , Fabio Landuzzi , Takahiro Sakaue

To study the elastic properties of rod-like DNA nanostructures, we perform long simulations of these structure using the oxDNA coarse-grained model. By analysing the fluctuations in these trajectories we obtain estimates of the bend and…

Although mechanical properties of DNA are well characterized at the kilo base-pair range, a number of recent experiments have suggested that DNA is more flexible at shorter length scales, which correspond to the regime that is crucial for…

Biomolecules · Quantitative Biology 2015-06-11 Agnes Noy , Ramin Golestanian

When the DNA double helix is subjected to external forces it can stretch elastically to elongations reaching 100% of its natural length. These distortions, imposed at the mesoscopic or macroscopic scales, have a dramatic effect on…

Materials Science · Physics 2009-11-13 Ryan Barnett , Paul Maragakis , Ari Turner , Maria Fyta , Efthimios Kaxiras

Recent experimental data indicate that the elastic wormlike rod model of DNA that works well on long length scales may break down on shorter scales relevant to biology. According to Noy and Golestanian (Phys. Rev. Lett. 109, 228101, 2012)…

Biomolecules · Quantitative Biology 2013-11-12 Alexey K. Mazur

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

Simple elastic network models of DNA were developed to reveal the structure-dynamics relationships for several nucleotide sequences. First, we propose a simple all-atom elastic network model of DNA that can explain the profiles of…

Biological Physics · Physics 2016-02-17 Shuhei Isami , Naoaki Sakamoto , Hiraku Nishimori , Akinori Awazu

It is well-established that many physical properties of DNA at sufficiently long length scales can be understood by means of simple polymer models. One of the most widely used elasticity models for DNA is the twistable worm-like chain…

Biomolecules · Quantitative Biology 2017-06-12 Enrico Skoruppa , Michiel Laleman , Stefanos Nomidis , Enrico Carlon

The sequence-dependent elasticity of double-helical DNA on a nm length scale can be captured by the rigid base-pair model, whose strains are the relative position and orientation of adjacent base-pairs. Corresponding elastic potentials have…

Biomolecules · Quantitative Biology 2013-05-29 Nils B. Becker , Ralf Everaers

Coarse-grained models have emerged as valuable tools to simulate long DNA molecules while maintaining computational efficiency. These models aim at preserving interactions among coarse-grained variables in a manner that mirrors the…

Soft Condensed Matter · Physics 2024-05-01 Wout Laeremans , Midas Segers , Aderik Voorspoels , Enrico Carlon , Jef Hooyberghs

Mechanical properties of nucleic acids play an important role in many biological processes which often involve physical deformations of these molecules. At sufficiently long length scales (say above $\sim 20-30$ base pairs) the mechanics of…

Statistical Mechanics · Physics 2022-08-12 Midas Segers , Aderik Voorspoels , Takahiro Sakaue , Enrico Carlon

Allosteric interactions between molecules bound to DNA at distant locations have been known for a long time. The phenomenon has been studied via experiments and numerical simulations, but a comprehensive understanding grounded in a theory…

Soft Condensed Matter · Physics 2018-11-14 Jaspreet Singh , Prashant K. Purohit

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

A versatile approach to modeling the conformations and energetics of DNA loops is presented. The model is based on the classical theory of elasticity, modified to describe the intrinsic twist and curvature of DNA, the DNA bending…

Biological Physics · Physics 2007-05-23 Alexander Balaeff , L. Mahadevan , Klaus Schulten

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

Many proteins interact with and deform double-stranded DNA in cells. Single-molecule experiments have studied the elasticity of DNA with helix-deforming proteins, including proteins that bend DNA. These experiments increase the need for…

Biological Physics · Physics 2007-05-23 Jinyu Li , Philip C. Nelson , M. D. Betterton

This paper aims at a comprehensive understanding on the novel elastic property of double-stranded DNA (dsDNA) discovered very recently through single-molecule manipulation techniques. A general elastic model for double-stranded biopolymers…

Soft Condensed Matter · Physics 2009-10-31 Haijun Zhou , Yang Zhang , Zhong-can Ou-Yang

While analyzing the persistence length of DNA atomistic simulations Wu et al. [J. Chem. Phys. 142, 125103 (2015)] introduced an empirical formula to account for the observed length-dependence. In particular they found that the persistence…

Soft Condensed Matter · Physics 2021-10-26 Midas Segers , Enrico Skoruppa , Jan A. Stevens , Merijn Vangilbergen , Aderik Voorspoels , Enrico Carlon

Genomic DNA is constantly subjected to various mechanical stresses arising from its biological functions and cell packaging. If the local mechanical properties of DNA change under torsional and tensional stress, the activity of…

Biomolecules · Quantitative Biology 2015-05-28 Alexey K. Mazur

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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