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We introduce a simple "patchy particle" model to study the thermodynamics and dynamics of self-assembly of homomeric protein complexes. Our calculations allow us to rationalize recent results for dihedral complexes. Namely, why evolution of…

The molecular self-assembly of various structures such as micelles and vesicles has been the subject of comprehensive studies. Recently, a new approach to design these structures, the frame-guided assembly, has been developed to progress…

Chemical Physics · Physics 2022-05-11 Simon Raschke , Andreas Heuer

We describe a computational model for studying the complexity of self-assembled structures with active molecular components. Our model captures notions of growth and movement ubiquitous in biological systems. The model is inspired by…

Data Structures and Algorithms · Computer Science 2013-01-15 Damien Woods , Ho-Lin Chen , Scott Goodfriend , Nadine Dabby , Erik Winfree , Peng Yin

Biomolecular condensates composed of intrinsically disordered proteins (IDPs) are vital for proper cellular function, and their dysfunction is associated with diseases including neurodegeneration and cancer. Despite their biological…

Soft Condensed Matter · Physics 2025-02-21 Luke K. Davis , Andrew J. Baldwin , Philip Pearce

Heterogeneous systems of active matter exhibit a range of complex emergent dynamical patterns. In particular, it is difficult to predict the properties of the mixed system based on its constituents. These considerations are particularly…

Soft Condensed Matter · Physics 2021-04-07 Shlomit Peled , Shawn D. Ryan , Sebastian Heidenreich , Markus Bar , Gil Ariel , Avraham Be'er

Molecular self-assembly on surfaces constitutes a powerful method for creating tailor-made surface structures with dedicated functionalities. Varying the intermolecular interactions allows for tuning the resulting molecular structures in a…

Mesoscale and Nanoscale Physics · Physics 2020-07-24 Christoph Schiel , Maximilian Vogtland , Ralf Bechstein , Angelika Kühnle , Philipp Maass

Phase-separated biomolecular condensates containing proteins and RNAs can assemble into higher-order structures by forming thermodynamically stable interfaces between immiscible phases. Using a minimal model of a protein/RNA interaction…

Soft Condensed Matter · Physics 2024-07-31 Tianhao Li , William M. Jacobs

We investigate a set of design principles that link specific features of interparticle interactions to predictable structural and dynamic outcomes in two-dimensional self-assembly, a framework relevant to soft matter and biological…

Soft Condensed Matter · Physics 2026-01-06 Cecilia Bores , Antonio Diaz-Pozuelo , Enrique Lomba

Self-assembly processes in biological and synthetic biomolecular systems are often governed by the spatial separation of biochemical processes. While previous work has focused on optimizing self-assembly through fine-tuned reaction…

Biological Physics · Physics 2026-02-17 Severin Angerpointner , Richard Swiderski , Erwin Frey

Thanks to a constant energy input, active matter can self-assemble into phases with complex architectures and functionalities such as living clusters that dynamically form, reshape and break-up, which are forbidden in equilibrium materials…

Soft Condensed Matter · Physics 2019-03-27 Falko Schmidt , Benno Liebchen , Hartmut Löwen , Giovanni Volpe

Proteins can combine into functional elements in living cells or self-assemble into unwanted structures in a number of diseases. The resulting aggregates often display filamentous morphologies across a large range of protein shapes and…

Soft Condensed Matter · Physics 2026-05-18 Elena N. Govorun , Martin Lenz

The simulated self-assembly of molecular building blocks into functional complexes is a key area of study in computational biology and materials science. Self-assembly simulations of proteins using physically-motivated potentials for…

Soft Condensed Matter · Physics 2025-09-03 Ivan Spirandelli , Arnur Nigmetov , Dmitriy Morozov , Myfanwy E. Evans

Population heterogeneity is ubiquitous among active living systems, but little is known about its role in determining their spatial organization and large-scale dynamics. Combining evidence from synthetic active fluids assembled from…

Soft Condensed Matter · Physics 2023-11-27 Samadarshi Maity , Alexandre Morin

Surface tension governed by differential adhesion can drive fluid particle mixtures to sort into separate regions, i.e., demix. Does the same phenomenon occur in confluent biological tissues? We begin to answer this question for epithelial…

Biomolecular condensates provide distinct chemical environments, which control various cellular processes. The diffusive dynamics and chemical kinetics inside phase-separated condensates can be studied experimentally by fluorescently…

Subcellular Processes · Quantitative Biology 2025-03-26 Stefano Bo , Lars Hubatsch , Frank Jülicher

Cells operate in part by compartmentalizing chemical reactions. For example, recent work has shown that chromatin, the material that contains the cell's genome, can auto-regulate its structure by utilizing reaction products (proteins, RNA)…

Soft Condensed Matter · Physics 2024-10-30 Sam Wilken , Gabrielle R. Abraham , Omar A. Saleh

Biomolecular condensates are cellular phase-separated droplets that usually exhibit a viscoelastic mechanical response. A behavior rationalized by modeling the complex molecules that make up a condensate as stickers and spacers, which…

Soft Condensed Matter · Physics 2026-03-11 Hugo Le Roy , Paolo De Los Rios

Inside a cell, heterotypic proteins assemble in inhomogeneous, crowded systems where the abundance of these proteins vary with cell types. While some protein complexes form putative structures that can be visualized with imaging, there are…

Biomolecules · Quantitative Biology 2021-09-15 Andrei G. Gasic , Atrayee Sarkar , Margaret S. Cheung

Self-assembly processes are widespread in nature, and lie at the heart of many biological and physical phenomena. The characteristics of self-assembly building blocks determine the structures that they form. Two crucial properties are the…

Soft Condensed Matter · Physics 2018-09-11 S. Tesoro , S. E. Ahnert , A. S. Leonard

The possibility to align and organize faceted particles in the bulk offers intriguing possibilities for the design and discovery of materials and architectures exhibiting novel functional properties. The growth of ice crystals can be used…

Materials Science · Physics 2015-07-01 Florian Bouville , Eric Maire , Sylvain Deville
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