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Here we report on the translocation of folded polymers through nano-pores using molecular dynamic simulations. Two cases are studied; one in which a folded molecule unfolds upon passage and one in which the folding remains intact as the…

Soft Condensed Matter · Physics 2016-03-23 Narges Nikoofard , Alireza Mashaghi

Protein folding and design are major biophysical problems, the solution of which would lead to important applications especially in medicine. Here a novel protein model capable of simultaneously provide quantitative protein design and…

Biological Physics · Physics 2015-06-22 Ivan Coluzza

The protein folding problem must ultimately be solved on all length scales from the atomic up through a hierarchy of complicated structures. By analyzing the stability of the folding process using physics and mathematics, this paper shows…

Biological Physics · Physics 2015-05-28 Walter Simmons , Joel L. Weiner

The classic paradigm of structural biology is that the sequence of a biomolecule (protein, nucleic acid, lipid, etc) determines its conformation (shape) which determines its biological function. Protein folding programs like AlphaFold…

Biomolecules · Quantitative Biology 2026-05-05 Alessio Valentini , David Pekker , Chungwen Liang , Todd Martinez , Swagatam Mukhopadhyay

Combining genome-wide structural models with phenomenological data is at the forefront of efforts to understand the organizational principles regulating the human genome. Here, we use chromosome-chromosome contact data as knowledge-based…

Biological Physics · Physics 2016-10-31 Marco Di Stefano , Jonas Paulsen , Tonje G. Lien , Eivind Hovig , Cristian Micheletti

Recent experiments and simulations have demonstrated that proteins can fold on the ribosome. However, the extent and generality of fitness effects resulting from co-translational folding remain open questions. Here we report a genome-wide…

Biomolecules · Quantitative Biology 2017-10-12 William M Jacobs , Eugene I Shakhnovich

Several orders of magnitude typically separate the contour length of eukaryotic chromosomes and the size of the nucleus where they are confined. The ensuing topological constraints can slow down the relaxation dynamics of genomic filaments…

Quantitative Methods · Quantitative Biology 2019-10-22 Angelo Rosa , Marco Di Stefano , Cristian Micheletti

During evolution of microorganisms genomes underwork have different changes in their lengths, gene orders, and gene contents. Investigating these structural rearrangements helps to understand how genomes have been modified over time. Some…

Genomics · Quantitative Biology 2017-06-27 Huda Al-Nayyef , Christophe Guyeux , Marie Petitjean , Didier Hocquet , Jacques M. Bahi

The chromatin folding and the spatial arrangement of chromosomes in the cell play a crucial role in DNA replication and genes expression. An improper chromatin folding could lead to malfunctions and, over time, diseases. For eukaryotes,…

Machine Learning · Statistics 2025-11-13 Eloïse Touron , Pedro L. C. Rodrigues , Julyan Arbel , Nelle Varoquaux , Michael Arbel

Effect of molecular crowding and confinement experienced by protein in the cell during unfolding has been studied by modeling a linear polymer chain on a percolation cluster. It is known that internal structure of the cell changes in time,…

Soft Condensed Matter · Physics 2015-05-14 Amit Raj Singh , Debaprasad Giri , Sanjay Kumar

We investigate a densely packed, non-random arrangement of forty-six chromosomes (46,XY) in human nuclei. Here, we model systems-level chromosomal crosstalk by unifying intrinsic parameters (chromosomal length and number of genes) across…

Genomics · Quantitative Biology 2017-11-09 Sarosh N. Fatakia , Ishita S. Mehta , Basuthkar J. Rao

We propose a general theory to describe the distribution of protein-folding transition paths. We show that transition paths follow a predictable sequence of high-free-energy transient states that are separated by free-energy barriers. Each…

Biomolecules · Quantitative Biology 2016-09-21 William M. Jacobs , Eugene I. Shakhnovich

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

Chromatin looping is a major epigenetic regulatory mechanism in higher eukaryotes. Besides its role in transcriptional regulation, chromatin loops have been proposed to play a pivotal role in the segregation of entire chromosomes. The…

Soft Condensed Matter · Physics 2015-05-18 Manfred Bohn , Dieter W. Heermann

The correlations between the sequence of monomers in a polymer and its three-dimensional structure is a grand challenge in polymer science and biology. The properties and functions of macromolecules depend on their 3D shape that has…

Materials Science · Physics 2021-07-15 Ashwin A Bale , Tarak K Patra

The internal dynamics of strongly interacting systems and that of biomolecules such as proteins display several important analogies, despite the huge difference in their characteristic energy and length scales. For example, in all such…

Biological Physics · Physics 2015-05-30 Pietro Faccioli

Accurate physical modeling with 3D-printing techniques could lead to new approaches to study structure and dynamics of biological systems complementing computational methods. Computational biology has become an important part of research…

Other Computer Science · Computer Science 2015-07-14 Promita Chakraborty

The intricate three-dimensional geometries of protein tertiary structures underlie protein function and emerge through a folding process from one-dimensional chains of amino acids. The exact spatial sequence and configuration of amino…

Biomolecules · Quantitative Biology 2021-02-24 Nora Molkenthin , Steffen Mühle , Antonia S J S Mey , Marc Timme

Biopolymer topology is critical for determining interactions inside cell environments, exemplified by DNA where its response to mechanical perturbation is as important as biochemical properties to its cellular roles. The dynamic structures…

Elucidating the physics of a concentrated suspension of ring polymers, or of an ensemble of ring polymers in a complex environment, is an important outstanding question in polymer physics. Many of the characteristic features of these…

Soft Condensed Matter · Physics 2017-08-09 Davide Michieletto , Enzo Orlandini , Davide Marenduzzo , Matthew S. Turner
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