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Solid-state nanopores have received substantial attention in the past years owing to their simplicity and potential applications expected in genomics, sensing, archival information storage, and computing. The underlying sensing technique of…

Biological Physics · Physics 2025-08-27 Muhammad Sajeer P , Manoj M. Varma

We investigated the translation of a protein through model nanopores using coarse-grained (CG) non-equilibrium molecular dynamics (NEMD) simulations and compared the mobilities with those obtained from previous coarse-grained equilibrium…

Computational Physics · Physics 2018-06-27 Navaneeth Haridasan , Sridhar Kumar Kannam , Santosh Mogurampelly , Sarith P Sathian

Numerical results on the translocation of long biopolymers through mid-sized and wide pores are presented. The simulations are based on a novel methodology which couples molecular motion to a mesoscopic fluid solvent. Thousands of events of…

Biological Physics · Physics 2015-05-13 Maria Fyta , Simone Melchionna , Massimo Bernaschi , Efthimios Kaxiras , Sauro Succi

Brownian motion provides access to hydrodynamic properties of nanoscale objects independent of their optical resolvability. Here, we present a diffusion-based approach to infer effective particle size distributions of DNA-functionalized…

We study the compression and extension dynamics of a DNA-like polymer interacting with non-DNA binding and DNA-binding proteins, by means of computer simulations. The geometry we consider is inspired by recent experiments probing the…

Soft Condensed Matter · Physics 2017-09-13 M. C. F. Pereira , C. A. Brackley , J. S. Lintuvuori , D. Marenduzzo , E. Orlandini

We present the first proof-of-concept simulations of detectors using biomaterials to detect particle interactions. The essential idea behind a "DNA detector" involves the attachment of a forest of precisely-sequenced single or…

String barcoding is a recently introduced technique for genomic-based identification of microorganisms. In this paper we describe the engineering of highly scalable algorithms for robust string barcoding. Our methods enable distinguisher…

Data Structures and Algorithms · Computer Science 2016-08-31 Bhaskar DasGupta , Kishori M. Konwar , Ion I. Mandoiu , Alex A. Shvartsman

We use an elastic rod model with contact to study the extension versus rotation diagrams of single supercoiled DNA molecules. We reproduce quantitatively the supercoiling response of overtwisted DNA and, using experimental data, we get an…

Biomolecules · Quantitative Biology 2013-05-29 Sebastien Neukirch

Single molecule studies, at constant force, of the separation of double-stranded DNA into two separated single strands may provide information relevant to the dynamics of DNA replication. At constant applied force, theory predicts that the…

Many recent studies of liquid-liquid phase separation in biology focus on phase separation as a dynamic control mechanism for cellular function, but it can also result in complex mesoscopic structures. We primarily investigate a model…

Soft Condensed Matter · Physics 2023-07-11 Sam Wilken , Aria Chaderjian , Omar A. Saleh

Exploring and understanding the protein-folding problem has been a long-standing challenge in molecular biology. Here, using molecular dynamics simulation, we reveal how parallel distributed adjacent planar peptide groups of unfolded…

Biomolecules · Quantitative Biology 2019-01-11 Xiaoliang Ma , Chengyu Hou , Liping Shi , Long Li , Jiacheng Li , Lin Ye , Lin Yang , Xiaodong He

We study the nonlinear dynamics of a protein-DNA molecular system by treating DNA as a set of two coupled linear chains and protein in the form of a single linear chain sliding along the DNA at the physiological temperature in a viscous…

Pattern Formation and Solitons · Physics 2015-05-13 V. Vasumathi , M. Daniel

The central dogma of molecular biology is the principal framework for understanding how nucleic acid information is propagated and used by living systems to create complex biomolecules. Here, by integrating the structural and dynamic…

Biological Physics · Physics 2018-10-04 Jihoon Shin , Junghoon Kim , Sung Ha Park , Tai Hwan Ha

Specific binding of proteins to DNA is one of the most common ways in which gene expression is controlled. Although general rules for the DNA-protein recognition can be derived, the ambiguous and complex nature of this mechanism precludes a…

Biomolecules · Quantitative Biology 2007-12-17 E. Moroni , M. Caselle , F. Fogolari

Nanopore sequencing can read substantially longer sequences of nucleic acid molecules, called reads, than other sequencing methods, which has led to advances in genomic analysis such as the gapless human genome assembly. By analyzing the…

Genomics · Quantitative Biology 2026-05-21 Simon Ambrozak , Ulysse McConnell , Bhargav Srinivasan , Burak Ozkan , Ernest Zhang , Can Firtina

We study a model for the translocation of proteins across membranes through a nanopore using a ratcheting mechanism. When the protein enters the nanopore it diffuses in and out of the pore according to a Brownian motion. Moreover, it is…

Probability · Mathematics 2011-07-27 A. Depperschmidt , N. Ketterer , P. Pfaffelhuber

Single-filament tracing has been a valuable tool to directly determine geometrical and mechanical properties of entangled polymer networks. However, systematically verifying how the stiffness of the tracer filament or its molecular…

Soft Condensed Matter · Physics 2022-01-05 Tina Händler , Cary Tutmarc , Martin Glaser , Jessica S. Freitag , David M. Smith , Jörg Schnauß

Although at least one quarter of early-type barred galaxies host secondary stellar bars embedded in their large-scale primary counterparts, the dynamics of such double barred galaxies are still not well understood. Recently we reported…

Astrophysics · Physics 2008-12-18 Juntai Shen , Victor P. Debattista

The mechanism and driving forces of chromosome segregation in the bacterial cell cycle of E. coli is one of the least understood events in its life cycle. Using principles of entropic repulsion between polymer loops confined in a cylinder,…

Soft Condensed Matter · Physics 2021-12-24 Debarshi Mitra , Shreerang Pande , Apratim Chatterji

We modify and extend the recently developed statistical mechanical model for predicting the thermodynamic properties of chain molecules having noncovalent double-stranded conformations, as in RNA or ssDNA, and $\beta-$sheets in protein, by…

Soft Condensed Matter · Physics 2009-11-07 Fei Liu , Luru Dai , Zhong-can Ou-Yang