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Self-assembly of proteins is a biological phenomenon which gives rise to spontaneous formation of amyloid fibrils or polymers. The starting point of this phase, called nucleation exhibits an important variability among replicated…

Biomolecules · Quantitative Biology 2016-03-22 Marie Doumic , Sarah Eugene , Philippe Robert

A machine learning approach is presented to accelerate the computation of block polymer morphology evolution for large domains over long timescales. The strategy exploits the separation of characteristic times between coarse-grained…

Chemical Physics · Physics 2023-09-01 Hyun Park , Boyuan Yu , Juhae Park , Ge Sun , Emad Tajkhorshid , Juan J. de Pablo , Ludwig Schneider

Physical aging in polymers is a fundamental yet poorly understood phenomenon, as diverse macromolecular systems exhibit remarkably similar slow dynamics. Through molecular dynamics simulations of physically crosslinked networks composed of…

Soft Condensed Matter · Physics 2025-10-16 Patrick Ilg , Clarisse Luap , Martin Kröger

A challenge of molecular self-assembly is to understand how to design particles that self-assemble into a desired structure and not any of a potentially large number of undesired structures. Here we use simulation to show that a strategy of…

Statistical Mechanics · Physics 2017-02-27 Stephen Whitelam

In this paper we propose an approach for measuring growth of complexity of emerging patterns in complex systems such as cellular automata. We discuss several ways how a metric for measuring the complexity growth can be defined. This…

Cellular Automata and Lattice Gases · Physics 2022-07-22 Hugo Cisneros , Josef Sivic , Tomas Mikolov

We study the self-assembly behaviour of patchy particles with `protein-like' interactions that can be considered as a minimal model for the assembly of viral capsids and other shell-like protein complexes. We thoroughly explore the…

Soft Condensed Matter · Physics 2010-01-21 Alex W. Wilber , Jonathan P. K. Doye , Ard A. Louis , Anna C. F. Lewis

An important goal of self-assembly is to achieve a preprogrammed structure with high fidelity. Here, we control the valence of DNA-functionalized emulsions to make linear and branched model polymers, or `colloidomers'. The distribution of…

Soft Condensed Matter · Physics 2018-10-03 Angus McMullen , Miranda Holmes-Cerfon , Francesco Sciortino , Alexander Y. Grosberg , Jasna Brujic

The matrix formation associated to high-order discretizations is known to be numerically demanding. Based on the existing procedure of interpolation and lookup, we design a multiscale assembly procedure to reduce the exorbitant assembly…

Numerical Analysis · Mathematics 2021-07-21 Thibaut Hirschler , Pablo Antolin , Annalisa Buffa

Self-assembly kinetics is usually described by approaches which assume that the shape of the aggregates has a definite form (e.g., spherical, cylindrical, cubic, etc), however that is unlikely to be the case in many finite-sized…

Soft Condensed Matter · Physics 2022-07-13 L. F. Trugilho , L. G. Rizzi

The cytoplasm is a heterogeneous mixture containing many types of proteins that self-assemble into a wide variety of complexes. The accuracy and speed of cytoplasmic self-assembly is astonishing because it involves the correct…

Statistical Mechanics · Physics 2025-11-21 Félix Benoist , Pablo Sartori

The evolution of multicellular organisms from monocellular ancestors represents one of the greatest advances of the history of life. The assembly of such multicellular organisms requires signalling and response between cells: over millions…

Cell Behavior · Quantitative Biology 2007-05-23 Graeme J. Ackland , Richard D. L. Hanes , Morrel H. Cohen

Recent advancements in microbiology have motivated the study of the production of nanostructures with applications such as biomedical computing and molecular robotics. One way to construct these structures is to construct branched DNA…

Cellular self-assembly and organization are fundamental steps for the development of biological tissues. In this paper, within the framework of a cellular automata model, we address how an ordered tissue pattern spontaneously emerges from a…

Biological Physics · Physics 2019-10-24 Debangana Mukhopadhyay , Rumi De

Many forms of programmable matter have been proposed for various tasks. We use an abstract model of self-organizing particle systems for programmable matter which could be used for a variety of applications, including smart paint and…

Emerging Technologies · Computer Science 2017-10-24 Alexandra Porter , Andréa W. Richa

Large protein complexes are assembled from protein subunits to form a specific structure. In our theoretic work, we propose that assembly into the correct structure could be reliably achieved through an assembly line with a specific…

Biological Physics · Physics 2022-03-23 Tyler S. Harmon , Frank Jülicher

The molecular machinery of life is largely created via self-organisation of individual molecules into functional assemblies. Minimal coarse-grained models, where a whole macromolecule is represented by a small number of particles, can be of…

Biological Physics · Physics 2019-06-25 Anne E. Hafner , Johannes Krausser , Anđela Šarić

Equilibrium self-assembly and conventional materials processing techniques fall far short of mimicking dynamic self-actuating processes that are commonplace throughout biology. To bridge the gap between living and synthetic matter, we study…

We present a new simulation technique to study systems of polymers functionalized by reactive sites that bind/unbind forming reversible linkages. Functionalized polymers feature self-assembly and responsive properties that are unmatched by…

Soft Condensed Matter · Physics 2018-04-18 Bernardo Oyarzún , Bortolo Matteo Mognetti

We study two mechanisms for the formation of protein patterns near membranes of living cells by mathematical modelling. Self-assembly of protein domains by electrostatic lipid-protein interactions is contrasted with self-organization due to…

Cell Behavior · Quantitative Biology 2007-05-23 Karin John , Markus Baer

Block copolymer melts self-assemble in the bulk into a variety of nanostructures, making them perfect candidates to template the position of nanoparticles. The morphological changes of block copolymers are studied in the presence of a…

Soft Condensed Matter · Physics 2019-10-31 Javier Diaz , Marco Pinna , Andrei V. Zvelindovsky , Ignacio Pagonabarraga