Related papers: Ordering in a fibrinogen layer
Collective behavior of proteins on biomembranes is usually studied within the spontaneous curvature model. Here we consider an alternative phenomenological approach, which accounts consistently for partial ordering of proteins as well as…
Protein fibril accumulation at interfaces is an important step in many physiological processes and neurodegenerative diseases as well as in designing materials. Here we show, using $\beta$-lactoglobulin fibrils as a model, that semiflexible…
The surface curvature of membranes, interfaces, and substrates plays a crucial role in shaping the self-assembly of particles adsorbed on these surfaces. However, little is known about the interplay between particle anisotropy and surface…
The random sequential adsorption (RSA) model has served as a paradigm for diverse phenomena in physical chemistry, as well as in other areas such as biology, ecology, and sociology. In the present work, we survey aspects of the RSA model…
Random sequential adsorption (RSA) models have been studied due to their relevance to deposition processes on surfaces. The depositing particles are represented by hard-core extended objects; they are not allowed to overlap. Numerical Monte…
Computer simulation was used to study the random sequential adsorption of identical discorectangles onto a continuous plane . The problem was analyzed for a wide range of discorectangle aspect ratios ($\varepsilon \in [1;100]$). We studied…
We present a generalized formalism to describe the optical energy flow and spatially resolved absorption in arbitrarily anisotropic layered structures. The algorithm is capable of treating any number of layers of arbitrarily anisotropic,…
Random packing of unoriented regular polygons and star polygons on a two-dimensional flat, continuous surface is studied numerically using random sequential adsorption algorithm. Obtained results are analyzed to determine saturated random…
Adsorption of fibrinogen on positively charged microspheres was theoretically and experimentally studied. The structure of monolayers and the maximum coverage were determined by applying the experimental measurements at pH=3.5 and 9.7 for…
The first theoretical study of a dimer's adsorption process at homogenous surface is presented. By using the RSA algorithm, we show example monolayers, discuss estimations of random jamming coverage and measure the surface blocking…
Adsorption of dimers is modelled using random sequential adsorption algorithm. The interaction between molecules is given by screened electrostatic potential. The paper focuses on the properties of adsorbed monolayers as well as the…
A nanoparticle (NP) immersed in biological media rapidly forms a corona of adsorbed proteins, which later controls the eventual fate of the particle and the route through which adverse outcomes may occur. The composition and timescale for…
While there has been significant progress in evaluating and comparing different representations for learning on protein data, the role of surface-based learning approaches remains not well-understood. In particular, there is a lack of…
We present the algorithm for generating strictly saturated random sequential adsorption packings built of rounded polygons. It can be used to study various properties of such packings built of a wide variety of different shapes and in…
The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction,…
The random sequential adsorption of various particle shapes is studied in order to determine the influence of particle anisotropy on the saturated random packing. For all tested particles there is an optimal level of anisotropy which…
It is now well accepted that cellular responses to materials in a biological medium reflect greatly the adsorbed biomolecular layer, rather than the material itself. Here, we study by molecular dynamic simulations the competitive protein…
The dynamic of complex ordering systems with active rotational degrees of freedom exemplified by protein self-assembly is explored using a machine learning workflow that combines deep learning-based semantic segmentation and rotationally…
Self-assembly of particles with short-range attraction and long-range repulsion (SALR) interactions on a flat and on a spherical surface is compared. Molecular dynamics (MD) simulations are performed for the two systems having the same area…
Recent advancements in the synthesis of anisotropic macromolecules and nanoparticles have spurred an immense interest in theoretical and computational studies of self-assembly. The cornerstone of such studies is the role of shape in…