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The spatial organization of DNA involves DNA loop extrusion and the formation of protein-DNA condensates. While the significance of each process is increasingly recognized, their interplay remains unexplored. Using molecular dynamics…

Biological Physics · Physics 2025-01-31 Ryota Takaki , Yahor Savich , Jan Brugués , Frank Jülicher

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

The mechanical properties of DNA play a critical role in many biological functions. For example, DNA packing in viruses involves confining the viral genome in a volume (the viral capsid) with dimensions that are comparable to the DNA…

The evolutionary reason for the increase in gene length from archaea to prokaryotes to eukaryotes observed in large scale genome sequencing efforts has been unclear. We propose here that the increasing complexity of protein-protein…

Molecular Networks · Quantitative Biology 2009-11-10 Taison Tan , Daan Frenkel , Vishal Gupta , Michael W. Deem

We present a statistical mechanical model of aggregation in colloidal systems with DNA mediated interactions. We obtain a general result for the two-particle binding energy in terms of the hybridization free energy $\Delta G$ of DNA and two…

Statistical Mechanics · Physics 2009-11-11 Nicholas A. Licata , Alexei V. Tkachenko

Proteins must bind to specific other proteins in vivo in order to function. The proteins must bind only to one or a few other proteins of the of order a thousand proteins typically present in vivo. Using a simple model of a protein,…

Biomolecules · Quantitative Biology 2007-05-23 Richard P. Sear

By exploring a recent model [Palmeri, J., M. Manghi, and N. Destainville. 2007. Phys. Rev. Lett. 99:088103] where DNA bending elasticity, described by the wormlike chain model, is coupled to base-pair denaturation, we demonstrate that small…

Statistical Mechanics · Physics 2010-06-22 Nicolas Destainville , Manoel Manghi , John Palmeri

We study the effect of a coupling between two motor domains in highly-processive motor protein complexes. A simple stochastic discrete model, in which the two parts of the protein molecule interact through some energy potential, is…

Soft Condensed Matter · Physics 2009-11-11 Evgeny B. Stukalin , Hubert Phillips , Anatoly B. Kolomeisky

We present a simple model of protein folding dynamics that captures key qualitative elements recently seen in all-atom simulations. The goals of this theory are to serve as a simple formalism for gaining deeper insight into the physical…

Biological Physics · Physics 2015-05-19 Vijay S. Pande

The Histone-like Nucleoid Structuring protein (H-NS) is a nucleoid-associated protein, which is involved in both gene regulation and DNA compaction. H-NS can bind to DNA in two different ways: in trans, by binding to two separate DNA…

Biological Physics · Physics 2013-04-04 Marc Joyeux , Jocelyne Vreede

For most of the important processes in DNA metabolism, a protein has to reach a specific binding site on the DNA. The specific binding site may consist of just a few base pairs while the DNA is usually several millions of base pairs long.…

Statistical Mechanics · Physics 2010-01-10 Debanjan Chowdhury

The extent of coupling between the folding of a protein and its binding to a substrate varies from protein to protein. Some proteins have highly structured native states in solution, while others are natively disordered and only fold fully…

Soft Condensed Matter · Physics 2012-05-16 Brenda M. Rubenstein , Ivan Coluzza , Mark A. Miller

We develop further a statistical model coupling denaturation and chain conformations in DNA (Palmeri J, Manghi M and Destainville N 2007 Phys. Rev. Lett. 99 088103). Our Discrete Helical Wormlike Chain model takes explicitly into account…

Soft Condensed Matter · Physics 2010-06-22 Manoel Manghi , John Palmeri , Nicolas Destainville

We propose a dynamical model for non-specific DNA-protein interaction, which is based on the 'bead-spring' model previously developed by other groups, and investigate its properties using Brownian Dynamics simulations. We show that the…

Biological Physics · Physics 2009-01-14 Ana-Maria Florescu , Marc Joyeux

Protein-protein interactions are fundamental to many biological processes. Experimental screens have identified tens of thousands of interactions and structural biology has provided detailed functional insight for select 3D protein…

Experiments indicate that unbinding rates of proteins from DNA can depend on the concentration of proteins in nearby solution. Here we present a theory of multi-step replacement of DNA-bound proteins by solution-phase proteins. For four…

Biomolecules · Quantitative Biology 2015-06-19 Simona Cocco , John F. Marko , Remi Monasson

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

We construct a theoretical model for the dynamics of a microscale colloidal particle, modeled as an interval, moving horizontally on a DNA-coated surface, modelled as a line coated with springs that can stick to the interval. Averaging over…

Soft Condensed Matter · Physics 2018-09-28 James P. Lee-Thorp , Miranda Holmes-Cerfon

Modern genomics experiments measure functional behaviors for many thousands of DNA sequences. We suggest that, especially when these sequences are chosen at random, it is natural to compute correlation functions between sequences and…

Biological Physics · Physics 2020-12-14 Yaojun Zhang , Aakash Basu , Taekjip Ha , William Bialek

The influence of tension on DNA looping has been studied both experimentally and theoretically in the past. However, different theoretical models have yielded different predictions, leaving uncertainty about their validity. We briefly…

Statistical Mechanics · Physics 2025-01-17 Wout Laeremans , Wouter G Ellenbroek