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An approach to improve neural network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We define a measure for clusterability and show that pre-trained models form…

Machine Learning · Computer Science 2025-07-28 Satvik Golechha , Maheep Chaudhary , Joan Velja , Alessandro Abate , Nandi Schoots

Many signalling functions in molecular biology require proteins bind to substrates such as DNA in response to environmental signals such as the simultaneous binding to a small molecule. Examples are repressor proteins which may transmit…

Biomolecules · Quantitative Biology 2009-11-10 Rhoda J. Hawkins , Thomas C. B. McLeish

We devise a method for predicting certain receptor-ligand binding behaviors, based on stochastic dynamical modelling. We consider the dynamics of a receptor binding to a ligand on the cell membrane, where the receptor and ligand perform…

Molecular Networks · Quantitative Biology 2023-02-17 Xi Chen , Hui Wang , Jinqiao Duan

Clustering is one of the mayor collective phenomena observed in active matter. We study the overdamped motion of interacting active Brownian particles in two dimensions. An instability in the pair correlation function causes the onset of…

Soft Condensed Matter · Physics 2024-03-18 Rüdiger Kürsten

Modulation of the properties of AMPA receptors at the post-synaptic membrane is one of the main suggested mechanisms behind synaptic plasticity in the central nervous system of vertebrates. Electrophysiological recordings of single channels…

Molecular Networks · Quantitative Biology 2015-06-22 Ranjita Dutta Roy , Christian Rosenmund , Stuart J Edelstein , Nicolas Le Novère

In a mathematical model of interacting biological organisms, where external interventions may alter behavior over time, traditional models that assume fixed parameters usually do not capture the evolving dynamics. In oncology, this is…

Machine Learning · Computer Science 2025-12-18 Kayode Olumoyin , Lamees El Naqa , Katarzyna Rejniak

The adhesion of cells is mediated by receptors and ligands anchored in apposing membranes. A central question is how to characterize the binding affinity of these membrane-anchored molecules. For soluble molecules, the binding affinity is…

Soft Condensed Matter · Physics 2009-06-03 Heinrich Krobath , Bartosz Rozycki , Reinhard Lipowsky , Thomas R. Weikl

Cells constantly need to monitor the state of the environment to detect changes and timely respond. The detection of concentration changes of a ligand by a set of receptors can be cast as a problem of hypothesis testing, and the cell viewed…

Quantitative Methods · Quantitative Biology 2015-09-30 Stefano Bo , Antonio Celani

We present a model for molecular materials made up of polar and polarizable molecular units. A simple two state model is adopted for each molecular site and only classical intermolecular interactions are accounted for, neglecting any…

Materials Science · Physics 2009-11-10 Francesca Terenziani , Anna Painelli

Membrane proteins often form dimers and higher-order oligomers whose stability and spatial organization depend sensitively on their lipid environment. To investigate the physical principles underlying this coupling, we employ a lattice…

Soft Condensed Matter · Physics 2026-05-21 Subhadip Basu , Oded Farago

We present a generic framework for describing interacting, spinning, active polar particles, aimed at modelling dense cell aggregates, where cells are treated as polar, rotating objects that interact mechanically with one another and their…

Soft Condensed Matter · Physics 2024-11-01 Quentin Vagne , Guillaume Salbreux

In many fields, researchers are interested in large and complex biological processes. Two important examples are gene expression and DNA methylation in genetics. One key problem is to identify aberrant patterns of these processes and…

Applications · Statistics 2012-10-03 Matthias Kormaksson , James G. Booth , Maria E. Figueroa , Ari Melnick

Collective motion of cells is common in many physiological processes, including tissue development, repair, and tumor formation. Recent experiments have shown that certain malignant cancer cells form clusters in a chemoattractant gradient,…

Biological Physics · Physics 2017-05-02 Katherine Copenhagen , Gema Malet-Engra , Weimiao Yu , Giorgio Scita , Nir Gov , Ajay Gopinathan

Reaction-diffusion models with nonlocal constraints naturally arise as limiting cases of coupled bulk-surface models of intracellular signalling. In this paper, a minimal, mass-conserving model of cell-polarization on a curved membrane is…

Pattern Formation and Solitons · Physics 2022-10-04 Pearson W. Miller , Daniel Fortunato , Matteo Novaga , Stanislav Y. Shvartsman , Cyrill B. Muratov

In the cell, protein complexes form relying on specific interactions between their monomers. Excluded volume effects due to molecular crowding would lead to correlations between molecules even without specific interactions. What is the…

Soft Condensed Matter · Physics 2015-05-13 Wei Wang , Wei-Xin Xu , Y. Levy , E. Trizac , P. G. Wolynes

In a diffusion-based molecular communication network, transmitters and receivers communicate by using signalling molecules (or ligands) in a fluid medium. This paper assumes that the transmitter uses different chemical reactions to generate…

Information Theory · Computer Science 2019-04-25 Chun Tung Chou

We present a minimal motif model for transmembrane cell signaling. The model assumes signaling events taking place in spatially distributed nanoclusters regulated by a birth/death dynamics. The combination of these spatio-temporal aspects…

Cell Behavior · Quantitative Biology 2013-04-23 M. Ángeles Serrano , Manuel Jurado , Ramon Reigada

Here we present a fundamental comprehension of the microscopic mechanisms leading to the emergence of inverse melting transitions by considering a thorough mean-field analysis of a variety of minimal models with different competing…

Materials Science · Physics 2020-07-20 Alejandro Mendoza-Coto , Lucas Nicolao , Rogelio Díaz-Méndez

The aim of this paper is to develop suitable models for the phenomenon of cell blebbing, which allow for computational predictions of mechanical effects including the crucial interaction of the cell membrane and the actin cortex. For this…

Cell Behavior · Quantitative Biology 2021-07-15 Philipp Werner , Martin Burger , Florian Frank , Harald Garcke

We develop an operator-based framework to coarse-grain interacting particle systems that exhibit clustering dynamics. Starting from the particle-based transfer operator, we first construct a sequence of reduced representations: the operator…

Statistical Mechanics · Physics 2026-04-10 Nathalie Wehlitz , Grigorios A. Pavliotis , Christof Schütte , Stefanie Winkelmann
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