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Using Brownian dynamics simulations, we study the migration of long charged chains in an electrophoretic microchannel device consisting of an array of microscopic entropic traps with alternating deep regions and narrow constrictions. Such a…

Biological Physics · Physics 2007-05-23 Martin Streek , Friederike Schmid , Thanh Tu Duong , Alexandra Ros

The statistical mechanics of heteropolymer structure formation is studied in the context of RNA secondary structures. A designed RNA sequence biased energetically towards a particular native structure (a hairpin) is used to study the…

Statistical Mechanics · Physics 2009-10-31 R. Bundschuh , T. Hwa

Cooperative binding of transcription factors (TFs) to cis-regulatory regions (CRRs) is essential for precision of gene expression in development and other processes. The classical model of cooperativity requires direct interactions between…

Biomolecules · Quantitative Biology 2015-05-13 Leonid A. Mirny

The three-dimensional organization of chromatin is thought to play an important role in controlling gene expression. Specificity in expression is achieved through the interaction of transcription factors and other nuclear proteins with…

Biological Physics · Physics 2025-07-22 Mason N. Rouches , Benjamin B. Machta

Motor enzymes are remarkable molecular machines that use the energy derived from the hydrolysis of a nucleoside triphosphate to generate mechanical movement, achieved through different steps that constitute their kinetic cycle. These…

Subcellular Processes · Quantitative Biology 2014-09-05 Luca Ciandrini , M. Carmen Romano , A. Parmeggiani

In human cells, estrogenic signals induce cyclical association and dissociation of specific proteins with the DNA in order to activate transcription of estrogen-responsive genes. These oscillations can be modeled by assuming a large number…

Cell Behavior · Quantitative Biology 2007-05-23 Vincent Lemaire , Chiu Fan Lee , Jinzhi Lei , Raphael Metivier , Leon Glass

We investigate the possibility of extending the notion of temperature in a stochastic model for the RNA/protein folding driven out of equilibrium. We simulate the dynamics of a small RNA hairpin subject to an external pulling force, which…

Statistical Mechanics · Physics 2021-08-02 Marco Ancona , Alessandro Bentivoglio , Michele Caraglio , Giuseppe Gonnella , Alessandro Pelizzola

RNA function is tied to secondary structure, operating through dynamic and heterogeneous structural ensembles. While current analysis tools typically output single static structures or averaged contact maps, chemical probing methods like…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Jianhui Li , Redmond P. Smyth , Guido Sanguinetti , Giovanni Bussi

Stochastic evolution of Chemical Reactions Networks (CRNs) over time is usually analysed through solving the Chemical Master Equation (CME) or performing extensive simulations. Analysing stochasticity is often needed, particularly when some…

Logic in Computer Science · Computer Science 2015-09-11 Luca Laurenti , Luca Cardelli , Marta Kwiatkowska

CLIP-seq methods are valuable techniques to experimentally determine transcriptome-wide binding sites of RNA-binding proteins. Despite the constant improvement of such techniques (e.g. eCLIP), the results are affected by various types of…

Biomolecules · Quantitative Biology 2024-12-31 Gianluca Corrado , Michael Uhl , Rolf Backofen , Andrea Passerini , Fabrizio Costa

Coarse-grained models can be of great help to address the problem of structure prediction in nucleic acids. On one hand they can make the prediction more efficient, while on the other hand, they can also help to identify the essential…

Biological Physics · Physics 2020-05-05 Simón Poblete , Sandro Bottaro , Giovanni Bussi

RNA structure and functional dynamics play fundamental roles in controlling biological systems. Molecular dynamics simulation, which can characterize interactions at an atomistic level, can advance the understanding on new drug discovery,…

Molecular Networks · Quantitative Biology 2023-06-21 Hua Zheng , Wei Xie , Paul Whitford , Ailun Wang , Chunsheng Fang , Wandi Xu

Proteins are polymerized by cyclic machines called ribosome which use their messenger RNA (mRNA) track also as the corresponding template and the process is called translation. We explore, in depth and detail, the stochastic nature of the…

Biological Physics · Physics 2009-11-13 Ashok Garai , Debashish Chowdhury , T. V. Ramakrishnan

A non-linear Penner type interaction is introduced and studied in the random matrix model of homo-RNA. The asymptotics in length of the partition function is discussed for small and large $N$ (size of matrix). The interaction doubles the…

Statistical Mechanics · Physics 2011-03-30 Itty Garg , Pradeep Bhadola , N. Deo

Enzymatic molecules that actively support many cellular processes, including transport, cell division and cell motility, are known as motor proteins or molecular motors. Experimental studies indicate that they interact with each other and…

Biological Physics · Physics 2015-05-20 Daniel Celis-Garza , Hamid Teimouri , Anatoly B. Kolomeisky

Chemical probing experiments such as SHAPE are routinely used to probe RNA molecules. In this work, we use atomistic molecular dynamics simulations to test the hypothesis that binding of RNA with SHAPE reagents is affected by cooperative…

Biomolecules · Quantitative Biology 2024-12-23 Nicola Calonaci , Mattia Bernetti , Alisha Jones , Michael Sattler , Giovanni Bussi

We discuss how information encoded in a template polymer can be stochastically copied into a copy polymer. We consider four different stochastic copy protocols of increasing complexity, inspired by building blocks of the mRNA translation…

Subcellular Processes · Quantitative Biology 2016-03-23 Simone Pigolotti , Pablo Sartori

We propose a new method for electrophoretic separation of DNA in which adsorbed polymers are driven over a disordered two-dimensional substrate which contains attractive sites for the polymers. Using simulations of a model for long polymer…

Soft Condensed Matter · Physics 2008-03-31 C. J. Olson Reichhardt , C. Reichhardt

Many fundamental biological processes are regulated by protein-DNA complexes called {\it synaptosomes}, which possess multiple interaction sites. Despite the critical importance of synaptosomes, the mechanisms of their formation remain not…

Soft Condensed Matter · Physics 2020-01-29 Cayke Felipe , Jaeoh Shin , Yulia Loginova , Anatoly B. Kolomeisky

Translation is one of the main steps in the synthesis of proteins. It consists of ribosomes that translate sequences of nucleotides encoded on mRNA into polypeptide sequences of amino acids. Ribosomes bound to mRNA move unidirectionally,…

Subcellular Processes · Quantitative Biology 2022-01-19 Olivier Dauloudet , Izaak Neri , Jean-Charles Walter , Jérôme Dorignac , Frédéric Geniet , Andrea Parmeggiani