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In $2013$ a novel self-assembly strategy for polypeptide nanostructure design which could lead to significant developments in biotechnology was presented in [Design of a single-chain polypeptide tetrahedron assembled from coiled-coil…

Combinatorics · Mathematics 2019-08-09 Jernej Rus

For a graph $G$ and $E \subseteq E(G)$, $E$-restricted strong trace is a closed walk which traverses every edge from $E$ once in each direction and every other edge twice in the same direction. In addition, every time a strong trace come to…

Combinatorics · Mathematics 2016-11-01 Dan Archdeacon , Luis Goddyn , Jernej Rus

Recently designed biomolecular approaches to build single chain polypeptide polyhedra as molecular origami nanostructures have risen high interest in various double traces of the underlying graphs of these polyhedra. Double traces are walks…

Combinatorics · Mathematics 2018-08-28 Nino Bašić , Drago Bokal , Tomas Boothby , Jernej Rus

Experiments have reached a monumental capacity for designing and synthesizing microscopic particles for self-assembly, making it possible to precisely control particle concentrations, shapes, and interactions. However, more physical insight…

Soft Condensed Matter · Physics 2026-02-19 Maximilian C. Hübl , Thomas E. Videbæk , Daichi Hayakawa , W. Benjamin Rogers , Carl P. Goodrich

Peptides are recognized for their varied self-assembly behaviors, forming a wide array of structures and geometries, such as spheres, fibers, and hydrogels, each presenting a unique set of material properties. The functionalities of these…

Biomolecules · Quantitative Biology 2025-05-15 Sarah K. Yorke , Zhenze Yang , Aviad Levin , Alice Ray , Jeremy Owusu Boamah , Tuomas P. J. Knowles , Markus J. Buehler

A parallel $d$-stable trace is a closed walk which traverses every edge of a graph exactly twice in the same direction and for every vertex $v$, there is no subset $X \subseteq N(v)$ with $1 \leq |N| \leq d$ such that every time the walk…

Combinatorics · Mathematics 2019-08-09 Jernej Rus

Peppytides is a coarse-grained, accurate, physical model of the polypeptide chain. I have shared instructions to make your own polypeptide chain and STL files of Peppytides in MAKE magazine in Jan 2014 issue. However, Peppytides involves a…

Other Quantitative Biology · Quantitative Biology 2016-05-16 Promita Chakraborty

Multilevel self-assembly involving small structured groups of nano-particles provides new routes to development of functional materials with a sophisticated architecture. Apart from the inter-particle forces, the geometrical shapes and…

Physics and Society · Physics 2017-11-15 Milovan Suvakov , Miroslav Andjelkovic , Bosiljka Tadic

Graphs as a type of data structure have recently attracted significant attention. Representation learning of geometric graphs has achieved great success in many fields including molecular, social, and financial networks. It is natural to…

Machine Learning · Computer Science 2021-07-08 Tian Xia , Wei-Shinn Ku

Self-assembling peptides (SAPs) have the ability to spontaneously assemble into ordered nanostructures enabling the manufacture of "designer" nanomaterials. The reversible molecular association of SAPs has been shown to offer great promise…

Materials Science · Physics 2016-01-14 Robabeh Gharaei , Giuseppe Tronci , Robert P. Davies , Parikshit Goswami , Stephen J. Russell

In recent experiments [T. Basta et al., Proc. Natl. Acad. Sci. U.S.A. 111, 670 (2014)] lipids and membrane proteins were observed to self-assemble into membrane protein polyhedral nanoparticles (MPPNs) with a well-defined polyhedral protein…

Biological Physics · Physics 2017-04-28 Di Li , Osman Kahraman , Christoph A. Haselwandter

Electronically-active organic molecules have demonstrated great promise as novel soft materials for energy harvesting and transport. Self-assembled nanoaggregates formed from $\pi$-conjugated oligopeptides composed of an aromatic core…

This paper develops a structural theory of unique shortest paths in real-weighted graphs. Our main goal is to characterize exactly which sets of node sequences, which we call path systems, can be realized as unique shortest paths in a graph…

Data Structures and Algorithms · Computer Science 2018-10-18 Greg Bodwin

DNA self-assembly is an important tool that has a wide range of applications such as building nanostructures, the transport of target virotherapies, and nano-circuitry. Tools from graph theory can be used to encode the biological process of…

Combinatorics · Mathematics 2023-10-09 Cory Johnson , Andrew Lavengood-Ryan

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

Self-assembling peptides (SAPs) have shown to offer great promise in therapeutics and have the ability to undergo self-assembly and form ordered nanostructures. However SAP gels are often associated with inherent weak and transient…

Highly connected and yet sparse graphs (such as expanders or graphs of high treewidth) are fundamental, widely applicable and extensively studied combinatorial objects. We initiate the study of such highly connected graphs that are, in…

Computational Geometry · Computer Science 2013-06-17 Prosenjit Bose , Vida Dujmovic , Pat Morin , Michiel Smid

Persistence diagrams (PDs), often characterized as sets of death and birth of homology class, have been known for providing a topological representation of a graph structure, which is often useful in machine learning tasks. Prior works rely…

Machine Learning · Computer Science 2022-09-29 Chau Pham , Trung Dang , Peter Chin

In real-world systems, the relationships and connections between components are highly complex. Real systems are often described as networks, where nodes represent objects in the system and edges represent relationships or connections…

Algebraic Topology · Mathematics 2024-06-24 Shen Zhang

We study the graphs formed from instances of the stable matching problem by connecting pairs of elements with an edge when there exists a stable matching in which they are matched. Our results include the NP-completeness of recognizing…

Discrete Mathematics · Computer Science 2020-10-20 David Eppstein
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