相关论文: Strong Traces Model of Self-Assembly Polypeptide S…

Ordered nanoarrays, i.e. regular patterns of quantum structures at the nanometre scale, have recently been synthesized in a wide range of systems. Here I explore a possible route to technological exploitation: assuming a simple form of…

Branched molecules of deoxyribonucleic acid (DNA) can self-assemble into nanostructures through complementary cohesive strand base pairing. The production of DNA nanostructures is valuable in targeted drug delivery and biomolecular…

Strongly chordal graphs are a subclass of chordal graphs. The interest in this subclass stems from the fact that many problems which are NP-complete for chordal graphs are solvable in polynomial time for this subclass. However, we are not…

In this paper, we introduce the notion of strong geometry, a structure composed by both the chirotope of a set of points X in the d-dimensional space and the wedge chirotope which is the specific adjoint chirotope induced by the hyperplanes…

Peptides are formed by the dehydration condensation of multiple amino acids. The primary structure of a peptide can be represented either as an amino acid sequence or as a molecular graph consisting of atoms and chemical bonds. Previous…

Models for near-rigid shape matching are typically based on distance-related features, in order to infer matches that are consistent with the isometric assumption. However, real shapes from image datasets, even when expected to be related…

The observation by Ke et al. [Science 338, 1177 (2012)] that large numbers of short, pre-designed DNA strands can assemble into three-dimensional target structures came as a great surprise, as no colloidal self-assembling system has ever…

Nanopores in two-dimensional (2D) materials, including graphene, can be used for a variety of applications, such as gas separations, water desalination, and DNA sequencing. So far, however, all plausible isomeric shapes of graphene…

Pristine monocrystalline graphene is claimed to be the strongest material known with remarkable mechanical and electrical properties. However, graphene made with scalable fabrication techniques is polycrystalline and contains inherent…

We present a robust method to find region-level correspondences between shapes, which are invariant to changes in geometry and applicable across multiple shape representations. We generate simplified shape graphs by jointly decomposing the…

Shape-controlled synthesis of multiply twinned nanostructures is heavily emphasized in nanoscience, in large part due to the desire to control the size, shape, and terminating facets of metal nanoparticles for applications in catalysis.…

Imposing a strong condition on the linear order of shellable complexes, we introduce strong shellability. Basic properties, including the existence of dimension-decreasing strong shelling orders, are developed with respect to nonpure…

Nanoparticles with "sticky patches" have long been proposed as building blocks for the self-assembly of complex structures. The synthetic realizability of such patchy particles, however, greatly lags behind predictions of patterns they…

This paper studies the straight skeleton of polyhedra in three dimensions. We first address voxel-based polyhedra (polycubes), formed as the union of a collection of cubical (axis-aligned) voxels. We analyze the ways in which the skeleton…

Grafting polymer chains on nanoparticles surfaces is a well-known route to control their self assembly and distribution in a polymer matrix. A wide variety of self assembled structures are achieved by changing the grafting patterns on an…

Peptides, short chains of amino acids, interact with target proteins, making them a unique class of protein-based therapeutics for treating human diseases. Recently, deep generative models have shown great promise in peptide generation.…

Many tools exist for extracting structural and physiochemical descriptors from linear peptides to predict their properties, but similar tools for hydrocarbon-stapled peptides are lacking.Here, we present StaPep, a Python-based toolkit…

Research in the field of nanoplasmonic metamaterials is moving towards more and more interesting and, potentially useful, applications. The present work tackles the problem of nanoparticle self-assembly at an electrochemical solid-liquid…

To a closed braid in a solid torus we associate a trace graph in a thickened torus in such a way that closed braids are isotopic if and only if their trace graphs can be related by trihedral and tetraherdal moves. For closed braids with a…

Here we develop an approach to bio-structural robustness integrated with structure-function relationship in a unified conceptual and methodological framework, and envision its study using adequate computational and experimental methods. To…