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We present a numerical analysis of a DNA hydrogel that consists of three-valent Y-shaped DNA molecules. The building blocks self-assemble fully reversibly from complementary single-stranded DNA segments. We compare melting curves from both…

Soft Condensed Matter · Physics 2019-04-04 Yair Augusto Gutierrez Fosado , Zhongyang Xing , Erika Eiser , Magdalena Hudek , Oliver Henrich

We consider the problem of approximating a two-dimensional shape contour (or curve segment) using discrete assembly systems, which allow to build geometric structures based on limited sets of node and edge types subject to edge length and…

Computational Geometry · Computer Science 2021-02-03 Andreas M. Tillmann , Leif Kobbelt

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

Hierarchical self-assembly arranges nanostructures at different length scales. It gradually becomes an effective method of fabricating artificial metamaterials from composite nanostructures tailored for a particular response. Hierarchical…

We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are…

Biomolecules · Quantitative Biology 2022-11-15 Shitong Luo , Jiaqi Guan , Jianzhu Ma , Jian Peng

DNA-coated colloids can self-assemble into an incredible diversity of crystal structures, but applications of this technology are limited by poor understanding and control over the dynamical crystallization pathways. To address this…

Soft Condensed Matter · Physics 2021-06-01 Alexander Hensley , William M. Jacobs , W. Benjamin Rogers

The ability to design and synthesize ever more complicated colloidal particles opens the possibility of self-assembling a zoo of complex structures, including those with one or more self-limited length scales. An undesirable feature of…

Soft Condensed Matter · Physics 2022-03-02 Thomas E. Videbæk , Huang Fang , Daichi Hayakawa , Botond Tyukodi , Michael F. Hagan , W. Benjamin Rogers

One of the challenges of self-assembling finite-sized colloidal aggregates with a sought morphology is the necessity of precisely sorting the position of the colloids at the microscopic scale to avoid the formation of off-target structures.…

Soft Condensed Matter · Physics 2020-01-31 Pritam Kumar Jana , Bortolo Matteo Mognetti

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

Biological systems exploit self-assembly to create complex structures whose arrangements are finely controlled from molecular to mesoscopic level. Herein we report an example of using fully synthetic systems that mimic two levels of…

The regular polyhedra have the highest order of 3D symmetries and are exceptionally at- tractive templates for (self)-assembly using minimal types of building blocks, from nano-cages and virus capsids to large scale constructions like glass…

Computational Geometry · Computer Science 2015-07-31 Muhibur Rasheed , Chandrajit Bajaj

Because of its promising contribution to the bottom-up approach for nanofabrication of complex molecular architectures, self-organization is widely studied nowadays. Numerous studies have tackled supramolecular chirality or low-dimensional…

Materials Science · Physics 2007-05-23 T. Zambelli , S. Goudeau , J. Lagoute , A. Gourdon , X. Bouju , S. Gauthier

Self-assembly is one of the prevalent strategies used by living systems to fabricate ensembles of precision nanometer-scale structures and devices. The push for analogous approaches to create synthetic nanomaterials has led to the…

Perhaps the two most significant theoretical questions about the programming of self-assembling agents are: (1) necessary and sufficient conditions to produce a unique terminal assembly, and (2) error correction. We address both questions,…

Data Structures and Algorithms · Computer Science 2009-09-16 Aaron Sterling

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

A grand challenge of nanoscience is to master the control of structure and properties in order to go beyond present day functionality. The creation of nanostructures via atom manipulation by means of a scanning probe represents one of the…

Mesoscale and Nanoscale Physics · Physics 2012-09-11 R. X. Cao , B. F. Miao , Z. F. Zhong , L. Sun , B. You , W. Zhang , D. Wu , An Hu , S. D. Bader , H. F. Ding

Majumder, Reif and Sahu have presented a stochastic model of reversible, error-permitting, two-dimensional tile self-assembly, and showed that restricted classes of tile assembly systems achieved equilibrium in (expected) polynomial time.…

Computational Complexity · Computer Science 2009-08-04 Aaron Sterling

We study theoretically a binary system in which an attraction of unlike particles is combined with a type-independent soft core repulsion. The possible experimental implementation of the system is a mixture of DNA-covered colloids, in which…

Soft Condensed Matter · Physics 2007-05-23 Alexei V. Tkachenko

This paper introduces a method to generate highly selective encodings that can be magnetically "programmed" onto physical modules to enable them to self-assemble in chosen configurations. We generate these encodings based on Hadamard…

Robotics · Computer Science 2022-08-09 Martin Nisser , Yashaswini Makaram , Faraz Faruqi , Ryo Suzuki , Stefanie Mueller