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The paper addresses the single-file diffusion in the presence of an absorbing boundary. The emphasis is on an interplay between the hard-core interparticle interaction and the absorption process. The resulting dynamics exhibits several…

Statistical Mechanics · Physics 2014-02-26 Artem Ryabov , Petr Chvosta

Humans naturally obtain intuition about the interactions between and the stability of rigid objects by observing and interacting with the world. It is this intuition that governs the way in which we regularly configure objects in our…

Robotics · Computer Science 2025-03-20 Luzhe Sun , Takuma Yoneda , Samuel W. Wheeler , Tianchong Jiang , Matthew R. Walter

The degree distribution of many biological and technological networks has been described as a power-law distribution. While the degree distribution does not capture all aspects of a network, it has often been suggested that its functional…

Molecular Networks · Quantitative Biology 2007-05-23 Michael P. H. Stumpf , Piers J. Ingram

Resolving the structural variability of proteins is often key to understanding the structure-function relationship of those macromolecular machines. Single particle analysis using Cryogenic electron microscopy (CryoEM), combined with…

Quantitative Methods · Quantitative Biology 2022-11-22 Muyuan Chen , Bogdan Toader , Roy Lederman

Spatial profiling technologies in biology, such as imaging mass cytometry (IMC) and spatial transcriptomics (ST), generate high-dimensional, multi-channel data with strong spatial alignment and complex inter-channel relationships.…

Machine Learning · Computer Science 2025-07-08 Haoran Zhang , Mingyuan Zhou , Wesley Tansey

We investigate the folding behavior of protein sequences by numerically studying all sequences with maximally compact lattice model through exhaustive enumeration. We get the prion-like behavior of protein folding. Individual proteins…

Biomolecules · Quantitative Biology 2014-11-18 Yong-Yun Ji , You-Quan Li , Jun-Wen Mao , Xiao-Wei Tang

We study a morphogen gradient formation under nonlinear degradation and subdiffusive transport. In the long time limit we obtain the nonlinear effect of degradation enhanced diffusion, resulting from the interaction of non-Markovian…

Statistical Mechanics · Physics 2015-06-17 Sergei Fedotov , Steven Falconer

We propose a general theory to describe the distribution of protein-folding transition paths. We show that transition paths follow a predictable sequence of high-free-energy transient states that are separated by free-energy barriers. Each…

Biomolecules · Quantitative Biology 2016-09-21 William M. Jacobs , Eugene I. Shakhnovich

The conformational landscape of proteins is crucial to understanding their functionality in complex biological processes. Traditional physics-based computational methods, such as molecular dynamics (MD) simulations, suffer from rare event…

Biomolecules · Quantitative Biology 2024-09-25 Yan Wang , Lihao Wang , Yuning Shen , Yiqun Wang , Huizhuo Yuan , Yue Wu , Quanquan Gu

Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficiency. However, single-cell sequencing is a destructive process,…

Machine Learning · Computer Science 2026-04-28 Changxi Chi , Jun Xia , Yufei Huang , Zhuoli Ouyang , Cheng Tan , Yunfan Liu , Jingbo Zhou , Chang Yu , Liangyu Yuan , Siyuan Li , Zelin Zang , Stan Z. Li

A cell is polarised when it has developed a main axis of organisation through the reorganisation of its cytosqueleton and its intracellular organelles. Polarisation can occur spontaneously or be triggered by external signals, like gradients…

Analysis of PDEs · Mathematics 2013-01-17 Vincent Calvez , Nicolas Meunier , Nicolas Muller , Raphael Voituriez

We explore the interplay between the protein-protein interactions network and the expression of the interacting proteins. It is shown that interacting proteins are expressed in significantly more similar cellular concentrations. This is…

Molecular Networks · Quantitative Biology 2007-05-23 Shai Carmi , Erez Y. Levanon , Shlomo Havlin , Eli Eisenberg

Phase separation has emerged as an essential concept for the spatial organization inside biological cells. However, despite the clear relevance to virtually all physiological functions, we understand surprisingly little about what phases…

Biological Physics · Physics 2022-08-10 David Zwicker , Liedewij Laan

Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to…

Machine Learning · Computer Science 2026-04-14 Yanting Li , Zhuoyang Jiang , Enyan Dai , Lei Wang , Wen-Cai Ye , Li Liu

Inverse protein folding is challenging due to its inherent one-to-many mapping characteristic, where numerous possible amino acid sequences can fold into a single, identical protein backbone. This task involves not only identifying viable…

Quantitative Methods · Quantitative Biology 2023-11-08 Kai Yi , Bingxin Zhou , Yiqing Shen , Pietro Liò , Yu Guang Wang

Communicating cells can coordinate their gene expressions to form spatial patterns. 'Secrete-and-sense cells' secrete and sense the same molecule to do so and are ubiquitous. Here we address why and how these cells, from disordered…

Quantitative Methods · Quantitative Biology 2018-06-05 Eduardo P. Olimpio , Yiteng Dang , Hyun Youk

Among the main actors of organism development there are morphogens, which are signaling molecules diffusing in the developing organism and acting on cells to produce local responses. Growth is thus determined by the distribution of such…

Optimization and Control · Mathematics 2016-09-21 Francesco Rossi , Nastassia Pouradier Duteil , Nir Yakoby , Benedetto Piccoli

A fundamental challenge in protein design is the trade-off between generating structural diversity while preserving motif biological function. Current state-of-the-art methods, such as partial diffusion in RFdiffusion, often fail to resolve…

Quantitative Methods · Quantitative Biology 2025-10-22 Kevin Michalewicz , Chen Jin , Philip Alexander Teare , Tom Diethe , Mauricio Barahona , Barbara Bravi , Asher Mullokandov

Rhythmogenesis, which is critical for many biological functions, involves a transition to coherent activity through cell-cell communication. In the absence of centralized coordination by specialized cells (pacemakers), competing oscillating…

Adaptation and Self-Organizing Systems · Physics 2019-12-17 Ria Ghosh , Pavithraa Seenivasan , Shakti N. Menon , S. Sridhar , Nicolas B. Garnier , Alain Pumir , Sitabhra Sinha

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Machine Learning · Computer Science 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren
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