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We propose a computational framework to study the growth and spread of bacterial biofilms on interfaces, as well as the action of antibiotics on them. Bacterial membranes are represented by boundaries immersed in a fluid matrix and subject…

Cell Behavior · Quantitative Biology 2022-01-11 Ana Carpio , Rafael Gonzalez-Albaladejo

Membrane budding and wrapping of particles, such as viruses and nano-particles, play a key role in intracellular transport and have been studied for a variety of biological and soft matter systems. We study nano-particle wrapping by…

Soft Condensed Matter · Physics 2013-07-25 Sabyasachi Dasgupta , Thorsten Auth , Gerhard Gompper

Diffusion models have demonstrated significant promise in various generative tasks; however, they often struggle to satisfy challenging constraints. Our approach addresses this limitation by rethinking training-free loss-guided diffusion…

Machine Learning · Computer Science 2024-11-19 William Huang , Yifeng Jiang , Tom Van Wouwe , C. Karen Liu

Machine learning approaches to Structure-Based Drug Design (SBDD) have proven quite fertile over the last few years. In particular, diffusion-based approaches to SBDD have shown great promise. We present a technique which expands on this…

Machine Learning · Computer Science 2024-07-01 Matan Halfon , Eyal Rozenberg , Ehud Rivlin , Daniel Freedman

Bacterial colonies are a well-known example of living active matter, exhibiting collective behaviors such as nematic alignment and collective motion that play an important role in the spread of microbial infections. While the underlying…

Cell spreading is investigated at various scales in order to understand motility of living cells which is essential for a range of physiological activities in higher organisms as well as in microbes. At a microscopic scale, it has been seen…

Cell Behavior · Quantitative Biology 2009-11-13 A. Bhattacharyay

Shape transformations of flat bilayer membranes and vesicles induced by hydrolysis and condensation reactions of amphiphilic molecules are studied using coarse-grained molecular dynamics simulations. The hydrolysis and condensation…

Soft Condensed Matter · Physics 2018-01-31 Koh M. Nakagawa , Hiroshi Noguchi

Diffusion in cell membranes is not just simple two-dimensional Brownian motion, but typically depends on the timescale of the observation. The physical origins of this anomalous sub-diffusion are unresolved, and model systems capable of…

Biological Physics · Physics 2017-10-25 H. L. E. Coker , M. R. Cheetham , D. R. Kattnig , Y. J. Wang , S. Garcia-Manyes , M. I. Wallace

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,…

Biomolecules · Quantitative Biology 2022-11-28 Kevin E. Wu , Kevin K. Yang , Rianne van den Berg , James Y. Zou , Alex X. Lu , Ava P. Amini

We use computer simulations to study a model, first proposed by Wales [1], for the reversible and monodisperse self-assembly of simple icosahedral virus capsid structures. The success and efficiency of assembly as a function of…

Biomolecules · Quantitative Biology 2010-02-24 Iain G. Johnston , Ard A. Louis , Jonathan P. K. Doye

Complexation of polymers at liquid interfaces is an emerging technique to produce all-liquid printable and self-healing devices and membranes. It is crucial to control the assembly process but the mechanisms at play remain unclear. Using…

Soft Condensed Matter · Physics 2021-01-13 J Dupré de Baubigny , P. Perrin , N. Pantoustier , Thomas Salez , M. Reyssat , C. Monteux

The physical approach of a small particle (virus, medical drug) to the cell membrane represents the crucial first step before active internalization and is governed by thermal diffusion. Using a fully analytical theory we show that the…

Fluid Dynamics · Physics 2016-02-17 Abdallah Daddi-Moussa-Ider , Achim Guckenberger , Stephan Gekle

Cell membranes are studded with protrusions that were thoroughly analyzed with electron microscopy. However, the nanometer-scale three-dimensional motions generated by cell membranes to fit the topography of foreign surfaces and initiate…

Biological Physics · Physics 2008-09-04 Anne Pierres , Anne-Marie Benoliel , Dominique Touchard , Pierre Bongrand

Filopodia are bundles of actin filaments that extend out ahead of the leading edge of a crawling cell to probe its upcoming environment. {\it In vitro} experiments [D. Vignjevic {\it et al.}, J. Cell Biol. {\bf 160}, 951 (2003)] have…

Subcellular Processes · Quantitative Biology 2010-05-14 K. -C. Lee , A. Gopinathan , J. M. Schwarz

Plasmids are major players in Horizontal Gene Transfer mechanisms, hence they are highly variable in their gene content and length. We propose a model for the fitness of a plasmid as a function of its length, which predicts diminishing…

Populations and Evolution · Quantitative Biology 2014-11-04 Alice Ledda , Luca Ferretti

Time plays an essential role in the diffusion of information, influence and disease over networks. In many cases we only observe when a node copies information, makes a decision or becomes infected -- but the connectivity, transmission…

Social and Information Networks · Computer Science 2011-05-05 Manuel Gomez Rodriguez , David Balduzzi , Bernhard Schölkopf

Restrictions to molecular motion by barriers (membranes) are ubiquitous in biological tissues, porous media and composite materials. A major challenge is to characterize the microstructure of a material or an organism nondestructively using…

Soft Condensed Matter · Physics 2011-03-11 Dmitry S. Novikov , Els Fieremans , Jens H. Jensen , Joseph A. Helpern

Cell division is a process that involves many biochemical steps and complex biophysical mechanisms. To simplify the understanding of what triggers cell division, three basic models that subsume more microscopic cellular processes associated…

Cell Behavior · Quantitative Biology 2020-03-30 Mingtao Xia , Chris D. Greenman , Tom Chou

Cell walls define a cell shape in bacteria. They are rigid to resist large internal pressures, but remarkably plastic to adapt to a wide range of external forces and geometric constraints. Currently, it is unknown how bacteria maintain…

Soft Condensed Matter · Physics 2014-05-01 Ariel Amir , Farinaz Babaeipour , Dustin B. McIntosh , David R. Nelson , Suckjoon Jun

Ample experimental evidence has been accumulated demonstrating that the formation of monodispersed colloids proceeds through a more complex mechanism, than the generally excepted diffusional "burst nucleation" process. Instead, the…

Materials Science · Physics 2010-09-22 Jongsoon Park , Vladimir Privman , Egon Matijevic