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Energy landscape theory describes how a full-length protein can attain its native fold by sampling only a tiny fraction of all possible structures. Although protein folding is now understood to be concomitant with synthesis on the ribosome,…

Biomolecules · Quantitative Biology 2014-09-25 David S Tourigny

Templated copolymerization, in which information stored in the sequence of a heteropolymer template is copied into another polymer product, is the mechanism behind all known methods of genetic information transfer. A key aspect of templated…

Biological Physics · Physics 2025-02-10 Jeremy E. B. Guntoro , Benjamin J. Qureshi , Thomas E. Ouldridge

We investigate the evolutionary dynamics of an idealised model for the robust self-assembly of two-dimensional structures called polyominoes. The model includes rules that encode interactions between sets of square tiles that drive the…

Populations and Evolution · Quantitative Biology 2013-09-03 Iain G. Johnston , Sebastian A. Ahnert , Jonathan P. K. Doye , Ard A. Louis

This review is a tutorial for scientists interested in the problem of protein structure prediction, particularly those interested in using coarse-grained molecular dynamics models that are optimized using lessons learned from the energy…

Biomolecules · Quantitative Biology 2014-01-06 N. P. Schafer , B. L. Kim , W. Zheng , P. G. Wolynes

Recent high resolution experiments have provided a quantitative description of the statistical properties of interphase chromatin at large scales. These findings have stimulated a search for generic physical interactions that give rise to…

Biological Physics · Physics 2015-10-15 N. Ramakrishnan , Kripa Gowrishankar , Lakshmi Kuttippurathu , P. B. Sunil Kumar , Madan Rao

Chromatin and associated proteins constitute the highly folded structure of chromosomes. We consider a self-avoiding polymer model of the chromatin, segments of which may get cross-linked via protein binders that repel each other. The…

Soft Condensed Matter · Physics 2019-06-13 Amit Kumar , Debasish Chaudhuri

The transport of polymers with folded configurations across membrane pores is investigated theoretically by analyzing simple discrete stochastic models. The translocation dynamics is viewed as a sequence of two events: motion of the folded…

Statistical Mechanics · Physics 2009-11-13 Stanislav Kotsev , Anatoly B. Kolomeisky

Conformational transitions are ubiquitous in biomolecular systems, have significant functional roles and are subject to evolutionary pressures. Here we provide a first theoretical framework for topological transition, i.e. conformational…

Disordered Systems and Neural Networks · Physics 2015-09-02 Alireza Mashaghi , Abolfazl Ramezanpour

Lamina-associated domains (LADs) cover a large part of the human genome and are thought to play a major role in shaping the nuclear architectural landscape. Here, we perform polymer simulations, microscopy and mass spectrometry to dissect…

We systematically explore the self-assembly of semi-flexible polymers in deformable spherical confinement across a wide regime of chain stiffness, contour lengths and packing fractions by means of coarse-grained molecular dynamics…

Soft Condensed Matter · Physics 2021-07-12 Maxime M. C. Tortora , Daniel Jost

Understanding protein folding has been one of the great challenges in biochemistry and molecular biophysics. Over the past 50 years, many thermodynamic and kinetic studies have been performed addressing the stability of globular proteins.…

Biomolecules · Quantitative Biology 2014-04-01 Ernesto A. Roman , F. Luis Gonzalez Flecha

We propose a polymer model for the dynamics of chromatin replication in three dimensional space. Our simulations indicate that both immobile and tracking replisomes may self-assemble during the process, reconciling previous apparently…

Biological Physics · Physics 2023-12-19 G. Forte , S. Buonomo , P. R. Cook , N. Gilbert , D. Marenduzzo , E. Orlandini

One of the most important problems in development is how epigenetic domains can be first established, and then maintained, within cells. To address this question, we propose a framework which couples 3D chromatin folding dynamics, to a…

Soft Condensed Matter · Physics 2016-10-25 Davide Michieletto , Enzo Orlandini , Davide Marenduzzo

Essential life processes take place across multiple space and time scales in living organisms but understanding their mechanistic interactions remains an ongoing challenge. Advanced multiscale modeling techniques are providing new…

Molecular Networks · Quantitative Biology 2025-04-08 Achal Mahajan , Erik J. Navarro , William Poole , Carlos F Lopez

The translocation of biopolymers, such as DNA and proteins, across cellular or nuclear membranes is essential for numerous biological processes. The translocation dynamics are influenced by the properties of the polymers, such as polymer…

Soft Condensed Matter · Physics 2024-07-29 Gokul Upadhyay , Rajeev Kapri , Anil Kumar Dasanna , Abhishek Chaudhuri

The structure and dynamics of a typical biological system are complex due to strong and inhomogeneous interactions between its constituents. The investigation of such systems with classical mathematical tools, such as differential equations…

Molecular Networks · Quantitative Biology 2008-02-15 Murat Tuğrul

Large-scale cellular transformations are triggered by subtle physical and structural changes in individual biomacromolecular and membrane components. A prototypical example of such an event is the orchestrated fusion of membranes within an…

Soft Condensed Matter · Physics 2023-10-02 Ashesh Ghosh , Andrew J. Spkaowitz

In recent times whole-genome gene expression analysis has turned out to be a highly important tool to study the coordinated function of a very large number of genes within their corresponding cellular environment, especially in relation to…

Genomics · Quantitative Biology 2009-09-21 Enrique Hernandez-Lemus

Current approaches to genomic sequence modeling often struggle to align the inductive biases of machine learning models with the evolutionarily-informed structure of biological systems. To this end, we formulate a novel application of…

Machine Learning · Computer Science 2025-07-30 Raiyan R. Khan , Philippe Chlenski , Itsik Pe'er

The diffusion of molecules (penetrants) of variable size, shape, and chemistry through dense crosslinked polymer networks is a fundamental scientific problem that is broadly relevant in materials, polymer, physical and biological chemistry.…

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