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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

While all the information required for the folding of a protein is contained in its amino acid sequence, one has not yet learned how to extract this information to predict the three--dimensional, biologically active, native conformation of…

Biomolecules · Quantitative Biology 2009-11-10 R. A. Broglia , G. Tiana

Protein aggregation, linked to many of diseases, is initiated when monomers access rogue conformations that are poised to form amyloid fibrils. We show, using simulations of src SH3 domain, that mechanical force enhances the population of…

Soft Condensed Matter · Physics 2014-07-08 Pavel I. Zhuravlev , Govardhan Reddy , John E. Straub , D. Thirumalai

The approach of nonequilibrium evolution thermodynamics earlier offered is developed. It helps to describe the processes of defect formation within the adiabatic approximation. The basic equations system depends on the initial defects…

Materials Science · Physics 2015-10-23 A. V. Khomenko , D. S. Troshchenko , L. S. Metlov

The cytoskeleton -- a collection of polymeric filaments, molecular motors, and crosslinkers -- is a foundational example of active matter, and in the cell assembles into organelles that guide basic biological functions. Simulation of…

Soft Condensed Matter · Physics 2022-06-13 Wen Yan , Saad Ansari , Adam Lamson , Matthew A. Glaser , Meredith Betterton , Michael J. Shelley

In active matter systems, self-propelled particles can self-organize to undergo collective motion, leading to persistent dynamical behavior out of equilibrium. In cells, cytoskeletal filaments and motor proteins self-organize into complex…

Soft Condensed Matter · Physics 2020-05-19 Jeffrey M. Moore , Tyler N. Thompson , Matthew A. Glaser , Meredith D. Betterton

We consider two- and three-dimensional lattice models of proteins which were characterized previously. We coarse grain their folding dynamics by reducing it to transitions between effective states. We consider two methods of selection of…

Statistical Mechanics · Physics 2009-10-31 Marek Cieplak , Trinh Xuan Hoang

Protein folding, peptide aggregation and crystallization, as well as adsorption of molecules on soft or solid substrates have an essential feature in common: In all these processes, structure formation is guided by a collective, cooperative…

Statistical Mechanics · Physics 2009-02-12 Michael Bachmann , Wolfhard Janke

Many of the cell membrane vital functions are achieved by the self-organization of the proteins and biopolymers embedded in it. The protein dynamics are in part determined by its drag. A large number of these proteins can polymerize to form…

Fluid Dynamics · Physics 2023-09-13 Wenzheng Shi , Moslem Moradi , Ehssan Nazockdast

We solve a model that takes into account entropic barriers, frustration, and the organization of a protein-like molecule. For a chain of size $M$, there is an effective folding transition to an ordered structure. Without frustration, this…

Condensed Matter · Physics 2009-10-28 Carlos J. Camacho

In this paper, we introduce an approach to the protein folding problem from the point of view of statistical physics. Protein folding is a stochastic process by which a polypeptide folds into its characteristic and functional 3D structure…

Statistical Mechanics · Physics 2011-04-26 Jinzhi Lei , Kerson Huang

Since the time of Darwin, scientists have struggled to reconcile the evolution of biological forms in a universe determined by fixed laws. These laws underpin the origin of life, evolution, human culture and technology, as set by the…

The dynamics of elastocapillary thinning in high molecular weight polymer solutions are re-examined using high-speed digital video microscopy. At long times, the evolution of the viscoelastic thread deviates from self-similar exponential…

Other Condensed Matter · Physics 2009-11-11 Monica S. N. Oliveira , Gareth H. McKinley

Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depend crucially on their…

Soft Condensed Matter · Physics 2016-01-20 Pingwen Zhang , An-Chang Shi

Catalytically active colloids maintain non-equilibrium conditions in which they produce and deplete chemicals and hence effectively act as sources and sinks of molecules. While individual colloids that are symmetrically coated do not…

Soft Condensed Matter · Physics 2015-06-11 Rodrigo Soto , Ramin Golestanian

We prove a Pumping Lemma for the noncooperative abstract Tile Assembly Model, a model central to the theory of algorithmic self-assembly since the beginning of the field. This theory suggests, and our result proves, that small differences…

Computational Complexity · Computer Science 2020-02-11 Pierre-Étienne Meunier , Damien Regnault , Damien Woods

Semiflexible polymers are ubiquitous in natural and artificial systems, where their intermediate rigidity gives rise to rich structural and dynamical behavior. Confinement plays a central role in these behaviors, as spatial restrictions can…

Soft Condensed Matter · Physics 2026-03-31 Nasir Amiri , Jonathan P. Singer , Xin Yong

Growth and shape formation in crowded multicellular assemblies arise from the interplay of chemical gradients, single-cell expansion and mechanical interactions, making it essential to understand how these processes jointly shape collective…

Soft Condensed Matter · Physics 2025-12-02 Ilias-Marios Sarris , Ramin Golestianian , Philip Bittihn

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

The understanding, and even the description of protein folding is impeded by the complexity of the process. Much of this complexity can be described and understood by taking a statistical approach to the energetics of protein conformation,…

chem-ph · Physics 2008-02-03 J. D. Bryngelson , J. N. Onuchic , N. D. Socci , P. G. Wolynes
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