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Folding of ribozymes into well-defined tertiary structures usually requires divalent cations. How Mg$^{2+}$ ions direct the folding kinetics has been a long-standing unsolved problem because experiments cannot detect the positions and…

Biomolecules · Quantitative Biology 2023-08-22 Naoto Hori , D. Thirumalai

We construct an algorithm that generates large, band-diagonal transition matrices for a totally asymmetric exclusion process (TASEP) with local hopping rate inhomogeneities. The matrices are diagonalized numerically to find steady-state…

Statistical Mechanics · Physics 2009-11-10 Tom Chou , Greg Lakatos

We study the basepairing dynamics of DNA with repetitive sequences where local strand slippage can create, annihilate, and move bulge loops. Using an explicit theoretical model, we find a rich dynamical behavior as a function of an applied…

Biomolecules · Quantitative Biology 2009-11-10 Richard A. Neher , Ulrich Gerland

When pulled along the axis, double-strand DNA undergoes a large conformational change and elongates roughly twice its initial contour length at a pulling force about 70 pN. The transition to this highly overstretched form of DNA is very…

Soft Condensed Matter · Physics 2008-09-11 Mogurampelly Santosh , Prabal K Maiti

We use a recently developed coarse-grained model for DNA to study kissing complexes formed by hybridization of complementary hairpin loops. The binding of the loops is topologically constrained because their linking number must remain…

Soft Condensed Matter · Physics 2012-12-24 Flavio Romano , Alex Hudson , Jonathan P. K. Doye , Thomas E. Ouldridge , Ard A. Louis

When magnetic nanoparticles (MNPs) are single-domain and magnetically independent, their magnetic properties and the conditions to optimize their efficiency in magnetic hyperthermia applications are now well-understood. However, the…

Materials Science · Physics 2015-06-12 B. Mehdaoui , R. P. Tan , A. Meffre , J. Carrey , S. Lachaize , B. Chaudret , M. Respaud

We present a theoretical study of single-stranded DNA under stretching. Within the proposed framework, the effects of basepairing on the mechanical response of the molecule can be studied in combination with an arbitrary underlying model of…

Soft Condensed Matter · Physics 2009-11-10 Alexei V. Tkachenko

Exchange-coupled structures consisting of ferromagnetic and ferrimagnetic layers become technologically more and more important. We show experimentally the occurrence of completely reversible, hysteresis-free minor loops of [Co(0.2…

The dynamics of magnetic hysteresis, including the training effect and the field sweep rate dependence of the exchange bias, is experimentally investigated in exchange-coupled potassium split graphene nanoribbons (GNRs). We find that, at…

Mesoscale and Nanoscale Physics · Physics 2012-09-28 S. Narayana Jammalamadakaa , S. S. Rao , J. Vanacken , V. V. Moshchalkov , Wei Lu , J. M. Tour

Accurate knowledge of the thermodynamic properties of nucleic acids is crucial to predicting their structure and stability. To date most measurements of base-pair free energies in DNA are obtained in thermal denaturation experiments, which…

Biological Physics · Physics 2010-10-07 J. M. Huguet , C. V. Bizarro , N. Forns , S. B. Smith , C. Bustamante , F. Ritort

RNA secondary structure folding kinetics is known to be important for the biological function of certain processes, such as the hok/sok system in E. coli. Although linear algebra provides an exact computational solution of secondary…

Biomolecules · Quantitative Biology 2017-07-14 Peter Clote , Amir H. Bayegan

The denaturation of double-stranded DNA as function of force and temperature is discussed. At room temperature, sequence heterogeneity dominates the physics of single molecule force-extension curves starting about 7 piconewtons of below a…

Condensed Matter · Physics 2007-05-23 David R. Nelson

We use Brownian dynamics simulations to study the formation of chromatin loops through diffusive sliding of slip-link-like proteins, mimicking the behaviour of cohesin molecules. We recently proposed that diffusive sliding is sufficient to…

Soft Condensed Matter · Physics 2020-11-02 Andrea Bonato , Chris A. Brackley , James Johnson , Davide Michieletto , Davide Marenduzzo

The force induced unzipping transition of a double stranded DNA is considered from a purely thermodynamic point of view. This analysis provides us with a set of relations that can be used to test microscopic theories and experiments. The…

Soft Condensed Matter · Physics 2015-06-18 Poulomi Sadhukhan , Somendra M. Bhattacharjee

The effect of secondary structure on DNA duplex formation is poorly understood. We use a coarse-grained model of DNA to show that specific 3- and 4-base pair hairpins reduce hybridization rates by factors of 2 and 10 respectively, in good…

Soft Condensed Matter · Physics 2015-12-15 John S. Schreck , Thomas E. Ouldridge , Flavio Romano , Petr Sulc , Liam Shaw , Ard A. Louis , Jonathan P. K. Doye

DNA hairpin molecules with periodic base sequences can be expected to exhibit a regular coarse-grained free energy landscape (FEL) as function of the number of open base pairs and applied mechanical force. Using a commonly employed model,…

Biological Physics · Physics 2013-12-17 Sandra Nostheide , Viktor Holubec , Petr Chvosta , Philipp Maass

Molecular dynamics simulations are used to examine hysteretic effects and distinctions between equilibrium and non-equilibrium aspects of particle adsorption on the walls of nano-sized fluidfilled channels. The force on the particle and the…

Soft Condensed Matter · Physics 2009-11-11 German Drazer , Boris Khusid , Joel Koplik , Andreas Acrivos

In this communication we study the transport properties of two-dimensional assemblies of [Fe(Htrz)2(trz)](BF4) spin-crossover nanoparticles (NPs) with two different morphologies. The NPs have been synthesized made in a similar manner than…

We analyze the thermodynamic properties of a simplified model for folded RNA molecules recently studied by G. Vernizzi, H. Orland, A. Zee (in {\it Phys. Rev. Lett.} {\bf 94} (2005) 168103). The model consists of a chain of one-flavor base…

Biomolecules · Quantitative Biology 2009-11-13 Matias dell'Erba , Guillermo R. Zemba

Transcription is the first step of gene expression, in which a particular segment of DNA is copied to RNA by the enzyme RNA polymerase (RNAP). Despite many details of the complex interactions between DNA and RNA synthesis disclosed…

Biological Physics · Physics 2020-02-17 Xining Xu , Yunxin Zhang