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In contrast to most self-assembling synthetic materials, which undergo unbounded growth, many biological self-assembly processes are self-limited. That is, the assembled structures have one or more finite dimensions that are much larger…

Soft Condensed Matter · Physics 2022-05-25 Huang Fang , Botond Tyukodi , W. Benjamin Rogers , Michael F. Hagan

The design space for a self-assembled multicomponent objects ranges from a solution in which every building block is unique to one with the minimum number of distinct building blocks that unambiguously define the target structure. Using a…

Soft Condensed Matter · Physics 2023-03-13 Joakim Bohlin , Andrew J. Turberfield , Ard A. Louis , Petr Šulc

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 consider non cooperative binding in so called `temperature 1', in deterministic (here called {\it confluent}) tile self-assembly systems (1-TAS) and prove the standing conjecture that such systems do not have universal computational…

Computational Complexity · Computer Science 2019-01-25 Jérôme Durand-Lose , Hendrik Jan Hoogeboom , Nataša Jonoska

We consider a lattice model for amphiphiles in a solvent with molecules chemically similar to one part of the amphiphilic molecule. The dependence of the interaction potential on orientation of the amphiphilic molecules is taken into…

Soft Condensed Matter · Physics 2014-11-14 Jakub Pękalski , Paweł Rogowski , Alina Ciach

We show here that a model called directed self-assembly at temperature 1 is unable to do complex computations like the ones of a Turing machine. Since this model can be seen as a generalization of finite automata to 2D languages, a logical…

Computational Complexity · Computer Science 2020-11-20 Pierre-Étienne Meunier , Damien Regnault

Recent advances enable the creation of nanoscale building blocks with complex geometries and interaction specificities for self-assembly. This nearly boundless design space necessitates design principles for defining the mutual interactions…

Soft Condensed Matter · Physics 2024-03-29 Daichi Hayakawa , Thomas E. Videbæk , Gregory M. Grason , W. Benjamin Rogers

The efficient and controlled assembly of complex structures from macromolecular building blocks is a critical open question in both biological systems and nanoscience. Using molecular dynamics simulations we study the self-assembly of…

Soft Condensed Matter · Physics 2014-06-10 Shengfeng Cheng , Mark J. Stevens

In this paper we propose a research programme for getting structural characterisations for 2-dimensional languages generated by self-assembling tiles. This is part of a larger programme on getting a formal foundation of parallel,…

Formal Languages and Automata Theory · Computer Science 2015-06-19 Gheorghe Stefanescu

In the field of algorithmic self-assembly, a long-standing unproven conjecture has been that of the NP-hardness of binary pattern tile set synthesis (2-PATS). The $k$-PATS problem is that of designing a tile assembly system with the…

Computational Complexity · Computer Science 2014-04-04 Lila Kari , Steffen Kopecki , Pierre-Étienne Meunier , Matthew J. Patitz , Shinnosuke Seki

Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as Common…

Materials Science · Physics 2016-05-24 Peter Mahler Larsen , Søren Schmidt , Jakob Schiøtz

Self-limiting assembly of particles represents the state-of-the-art controllability in nanomanufacturing processes where the assembly stops at a designated stage1,2, providing a desirable platform for applications requiring delicate…

Atomic and Molecular Clusters · Physics 2021-11-02 Liang Zhao , Bchara Sidnawi , Jichao Fan , Ruiyang Chen , Thomas Scully , Scott Dietrich , Weilu Gao , Qianhong Wu , Bo Li

Multi-component self-assembly mixtures offer the possibility of encoding multiple target structures with the same set of interacting components. Selective retrieval of one of the stored structures has been attempted by preparing an initial…

Soft Condensed Matter · Physics 2022-03-23 Arunkumar Bupathy , Daan Frenkel , Srikanth Sastry

Flexibility governs the many properties of materials and is crucial for the function of proteins and biopolymers. However, how the self-assembly of flexibly bonded particles can lead to larger structures with global reconfigurability is…

Soft Condensed Matter · Physics 2024-06-28 Yogesh Shelke , Daniel J. G. Pearce , Daniela J. Kraft

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 Self-Assembly of Nano-Objects (SANO) code we implemented demonstrates the ability to predict the molecular self-assembly of different structural motifs by tuning the molecular building blocks as well as the metallic substrate. It…

Computational Physics · Physics 2012-11-26 Thomas Roussel , Lourdes F. Vega

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

We investigate aggregation mechanism of two proteins in a thermodynamically unambiguous manner by considering the finite size effect of free energy landscape of HP lattice protein model. Multi-Self-Overlap-Ensemble Monte Carlo method is…

Biomolecules · Quantitative Biology 2009-11-13 Kazuki Nakanishi , Macoto Kikuchi

Self-assembly in the laboratory can now yield `information-rich' nanostructures in which each component is of a distinct type and has a defined spatial position. Ensuring the thermodynamic stability of such structures requires…

Biological Physics · Physics 2016-03-22 Stephen Whitelam

We present a mechanism and show two variants of a method where the average diameter of spontaneously (barrier-free) assembled single component unilamellar liposomes is intrinsic, in agreement with Helfrich's theory. It depends only on the…

Soft Condensed Matter · Physics 2015-05-12 P. Sunthar , Sopan M. Phapal