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The formation of chain-folded structures from the melt is observed in molecular dynamics simulations resembling the lamellae of polymer crystals. Crystallization and subsequent melting temperatures are related linearly to the inverse…

Soft Condensed Matter · Physics 2009-10-31 Hendrik Meyer , Florian Mueller-Plathe

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…

We use molecular simulation to study the structural and dynamic properties of glassy nanoclusters formed both through the direct condensation of the vapor below the glass transition temperature, without the presence of a substrate, and…

Soft Condensed Matter · Physics 2017-02-20 Weikai Qi , Richard K. Bowles

Using data from contact maps of the DNA-polymer of $E. Coli$ (at kilobase pair resolution) as an input to our model, we introduce cross-links between monomers in a bead-spring model of a ring polymer at very specific points along the chain.…

Soft Condensed Matter · Physics 2018-01-17 Tejal Agarwal , G. P. Manjunath , Farhat Habib , Pavna Lakshmi , Apratim Chatterji

One of the challenges of self-assembling finite-sized colloidal aggregates with a sought morphology is the necessity of precisely sorting the position of the colloids at the microscopic scale to avoid the formation of off-target structures.…

Soft Condensed Matter · Physics 2020-01-31 Pritam Kumar Jana , Bortolo Matteo Mognetti

We study DNA self-assembly and DNA computation using a coarse-grained DNA model within the directional dynamic bonding framework {[}C. Svaneborg, Comp. Phys. Comm. 183, 1793 (2012){]}. In our model, a single nucleotide or domain is…

Soft Condensed Matter · Physics 2012-06-13 Carsten Svaneborg , Harold Fellermann , Steen Rasmussen

Just like atoms combine into molecules, colloids can self-organize into predetermined structures according to a set of design principles. Controlling valence -- the number of inter-particle bonds -- is a prerequisite for the assembly of…

Soft Condensed Matter · Physics 2022-01-05 Angus McMullen , Sascha Hilgenfeldt , Jasna Brujic

Nanoparticles with "sticky patches" have long been proposed as building blocks for the self-assembly of complex structures. The synthetic realizability of such patchy particles, however, greatly lags behind predictions of patterns they…

Soft Condensed Matter · Physics 2013-10-03 Michael Grünwald , Phillip L. Geissler

Nanochannels provide means for detailed experiments on the effect of confinement on biomacromolecules, such as DNA. We here introduce a model for the complete unfolding of DNA from the circular to linear configuration. Two main ingredients…

DNA supercoiling is central to many fundamental processes of living organisms. Its average level along the chromosome and over time reflects the dynamic equilibrium of opposite activities of topoisomerases, which are required to relax…

Biomolecules · Quantitative Biology 2023-10-09 Ivan Junier , Elham Ghobadpour , Olivier Espeli , Ralf Everaers

We consider the densities of clusters, at the percolation point of a two-dimensional system, which are anchored in various ways to an edge. These quantities are calculated by use of conformal field theory and computer simulations. We find…

Disordered Systems and Neural Networks · Physics 2009-11-11 P. Kleban , J. J. H. Simmons , R. M. Ziff

We consider the model of a directed polymer in a random environment defined on the infinite cluster of supercritical Bernoulli bond percolation in dimensions $d \geq 3$. For this model, it was proved in arXiv:2205.06206 that for almost…

Probability · Mathematics 2025-10-29 Francesca Cottini , Maximilian Nitzschner

Our study aims at a better control and understanding of the transfer of a complex [DNA supercoiled plasmid - dodecyltrimethylammonium surfactant] layer from a liquid-vapour water interface onto a silicon surface without any additional…

Chemical Physics · Physics 2008-01-18 Frédérique Battin-Leclerc , A. A. Konnov , J. L. Jaffrezo , M. Legrand

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

DNA is increasingly employed for bio and nanotechnology thanks to its exquisite versatility and designability. Most of its use is limited to linearised and torsionally relaxed DNA but non-trivial architectures and torsionally constrained --…

Soft Condensed Matter · Physics 2020-09-22 Jan Smrek , Davide Michieletto

We present an analytical theory for heteropolymer deformation, as exemplified experimentally by stretching of single protein molecules. Using a mean-field replica theory, we determine phase diagrams for stress-induced unfolding of typical…

Statistical Mechanics · Physics 2009-11-07 Phillip L. Geissler , Eugene I. Shakhnovich

The short supercoiled circular DNA molecules are shown to be glassy systems and canonical Metropolis Monte Carlo simulations of the systems tend to get stuck in local metastable energy basins. A novel Monte Carlo algorithm is developed to…

Soft Condensed Matter · Physics 2016-08-31 Zhang Yang

DNA toroids are compact torus-shaped bundles formed by one or multiple DNA molecules being condensed from the solution due to various condensing agents. It has been shown that the DNA toroidal bundles are twisted. However, the global…

Soft Condensed Matter · Physics 2025-04-01 Nhung T. T. Nguyen , Anh T. Ngo , Trinh X. Hoang

We study here the spontaneous clustering of a submonolayer of grains under horizontal circular shaking. The clustering of grains occurs when increasing the oscillation amplitude beyond a threshold. The dense area travels in a circular…

Soft Condensed Matter · Physics 2021-08-06 Song-Chuan Zhao , Thorsten Pöschel

A probabilistic clustering algorithm is proposed for the analysis of forensic DNA mixtures in which individual cells are isolated and short tandem repeats are amplified using the polymerase chain reaction to generate single cell…

Applications · Statistics 2025-10-14 Robert G. Cowell
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