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We propose an algorithmic strategy for improving the efficiency of Monte Carlo searches for the low-energy states of proteins. Our strategy is motivated by a model of how proteins alter their shapes. In our model when proteins fold under…

Soft Condensed Matter · Physics 2009-11-07 Michael Cahill , Sean Cahill , Kevin Cahill

DNA flexibility is a key determinant of biological function, from nucleosome positioning to transcriptional regulation, motivating a direct measurement of the bend-torque response of individual DNA molecules. In this work, DNA bending is…

The interplay between bending of the molecule axis and appearance of disruptions in circular DNA molecules, with $\sim 100$ base pairs, is addressed. Three minicircles with different radii and almost equal content of AT and GC pairs are…

Soft Condensed Matter · Physics 2014-06-03 Marco Zoli

Molecular combing is a powerful and simple method for aligning DNA molecules onto a surface. Using this technique combined with fluorescence microscopy, we observed that the length of lambda-DNA molecules was extended to about 1.6 times…

Biomolecules · Quantitative Biology 2009-11-10 Yu-Ying Liu , Peng-Ye Wang , Shuo-Xing Dou , Wei-Chi Wang , Ping Xie , Hua-Wei Yin , Xing-Dong Zhang

We consider an elastic rod model for twisted DNA in the plectonemic regime. The molecule is treated as an impenetrable tube with an effective, adjustable radius. The model is solved analytically and we derive formulas for the contact…

Biomolecules · Quantitative Biology 2009-11-13 N. Clauvelin , B. Audoly , S. Neukirch

We studied the structure and mechanical properties of DNA i-motif nanowires by means of molecular dynamics computer simulations. We built up to 230 nm long nanowires, based on a repeated TC5 sequence from crystallographic data, fully…

Biological Physics · Physics 2013-07-02 Raghvendra Pratap Singh , Ralf Blossey , Fabrizio Cleri

We propose a combined experimental (Atomic Force Microscopy) and theoretical study of the structural and dynamical properties of nucleosomes. In contrast to biochemical approaches, this method allows to determine simultaneously the DNA…

We study the electric properties of single-stranded DNA molecules with hairpin-like shapes in the presence of a magnetic flux. It is shown that the current amplitude can be modulated by the applied field. The details of the electric…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Juyeon Yi , Henri Orland

In this review we focus on the idea of establishing connections between the mechanical properties of DNAligand complexes and the physical chemistry of DNA-ligand interactions. This type of connection is interesting because it opens the…

Biological Physics · Physics 2015-04-20 M. S. Rocha

The mechanical properties of DNA are typically described by elastic theories with purely local couplings (on-site models). We discuss and analyze coarse-grained (oxDNA) and all-atom simulations, which indicate that in DNA distal sites are…

Soft Condensed Matter · Physics 2021-04-21 Enrico Skoruppa , Aderik Voorspoels , Jocelyne Vreede , Enrico Carlon

In this paper, we develop the theory for constructing DNA cyclic codes of odd length over $R=\Z_4[u]/\langle u^2-1 \rangle$ based on the deletion distance. Firstly, we relate DNA pairs with a special 16 elements of ring $R$. Cyclic codes of…

Information Theory · Computer Science 2016-03-15 Sukhamoy Pattanayak , Abhay Kumar Singh

Double-stranded DNA `overstretches' at a pulling force of about 65 pN, increasing in length by a factor of 1.7. The nature of the overstretched state is unknown, despite its considerable importance for DNA's biological function and…

Statistical Mechanics · Physics 2009-11-13 Stephen Whitelam , Sander Pronk , Phillip L. Geissler

A phenomenological model based on the three-dimensional theory of nonlinear elasticity is developed to describe the phenomenon of overstretching in the force-extension curve for dsDNA. By using the concept of a material with multiple…

Biomolecules · Quantitative Biology 2008-02-25 Ray W. Ogden , Giuseppe Saccomandi , Ivonne Sgura

The mechanism of threshold elongation (overstretching) of DNA macromolecules under the action of external force is studied within the framework of phenomenological approach. When considering the task it is taken into account that…

Biomolecules · Quantitative Biology 2016-02-22 Sergey N. Volkov

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

Topology affects physical and biological properties of DNA and impacts fundamental cellular processes, such as gene expression, genome replication, chromosome structure and segregation. In all organisms DNA topology is carefully modulated…

Biomolecules · Quantitative Biology 2019-03-27 P. Bettotti , V. Visone , L. Lunelli , G. Perugino , M. Ciaramella , A. Valenti

We use a recently developed coarse-grained model to simulate the overstretching of duplex DNA. Overstretching at 23C occurs at 74 pN in the model, about 6-7 pN higher than the experimental value at equivalent salt conditions. Furthermore,…

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

We investigate melting transition of DNA sequences embedded in a Langevin fluctuation-dissipation thermal bath. Torsional effects are considered by a twist angle $\varphi$ between neighboring base pairs stacked along the molecule backbone.…

Biomolecules · Quantitative Biology 2021-08-05 O. Farzadian , T. Oikonomou , M. Moradkhani

Single-molecule experiments in which force is applied to DNA or RNA molecules have enabled important discoveries of nucleic acid properties and nucleic acid-enzyme interactions. These experiments rely on a model of the polymer…

Biological Physics · Physics 2011-11-09 Jinyu Li , Philip C. Nelson , M. D. Betterton

Stability of the branching structure of an RNA molecule is an important condition for its function. In this letter we show that the melting thermodynamics of RNA molecules is very sensitive to their branching geometry for the case of a…

Biomolecules · Quantitative Biology 2009-11-13 Ralf Bundschuh , Robijn Bruinsma
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