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Understanding the molecular determinants of specificity in protein-protein interaction is an outstanding challenge of postgenome biology. The availability of large protein databases generated from sequences of hundreds of bacterial genomes…

Biomolecules · Quantitative Biology 2009-01-12 M. Weigt , R. A. White , H. Szurmant , J. A. Hoch , T. Hwa

In this study, the numerical solutions of reaction-diffusion systems are investigated via the trigonometric quintic B-spline nite element collocation method. These equations appear in various disciplines in order to describe certain…

Numerical Analysis · Mathematics 2017-01-18 Aysun Tok Onarcan , Nihat Adar , İdiris Dag

Cataloging the complex behaviors of dynamical systems can be challenging, even when they are well-described by a simple mechanistic model. If such a system is of limited analytical tractability, brute force simulation is often the only…

Machine Learning · Computer Science 2023-01-04 Hunter Elliott

Stochastic modeling and simulation provide powerful predictive methods for the intrinsic understanding of fundamental mechanisms in complex biochemical networks. Typically, such mathematical models involve networks of coupled jump…

Information Theory · Computer Science 2013-08-02 Yannis Pantazis , Markos A. Katsoulakis , Dionisios G. Vlachos

Network models are widely used as structural summaries of biochemical systems. Statistical estimation of networks is usually based on linear or discrete models. However, the dynamics of these systems are generally nonlinear, suggesting that…

Applications · Statistics 2014-06-03 C. J. Oates , F. Dondelinger , N. Bayani , J. Korola , J. W. Gray , S. Mukherjee

A detailed algorithmic explanation is required for how a network of chemical reactions can generate the sophisticated behavior displayed by living cells. Though several previous works have shown that reaction networks are computationally…

Emerging Technologies · Computer Science 2018-04-25 Muppirala Viswa Virinchi , Abhishek Behera , Manoj Gopalkrishnan

The reaction-diffusion master equation (RDME) is a lattice-based stochastic model for spatially resolved cellular processes. It is often interpreted as an approximation to spatially continuous reaction-diffusion models, which, in the limit…

Statistical Mechanics · Physics 2022-01-11 Alberto Montefusco , Christof Schütte , Stefanie Winkelmann

Steady state is an essential concept in reaction networks. Its stability reflects fundamental characteristics of several biological phenomena such as cellular signal transduction and gene expression. Because biochemical reactions occur at…

Molecular Networks · Quantitative Biology 2019-04-19 Tan Van Vu , Yoshihiko Hasegawa

Mathematical and computational tools have proven to be reliable in decision-making processes. In recent times, in particular, machine learning-based methods are becoming increasingly popular as advanced support tools. When dealing with…

Optimization and Control · Mathematics 2024-02-23 Christina Schenk , Aditya Vasudevan , Maciej Haranczyk , Ignacio Romero

We study the decay process for the reaction-diffusion process of three species on the small-world network. The decay process is manipulated from the deterministic rate equation of three species in the reaction-diffusion system. The particle…

Statistical Mechanics · Physics 2007-05-23 Kyungsik Kim , K. H. Chang , M. -K. Yum , J. S. Choi , T. Odagaki

We survey recent results on reaction-diffusion equations with discontinuous hysteretic nonlinearities. We connect these equations with free boundary problems and introduce a related notion of spatial transversality for initial data and…

Analysis of PDEs · Mathematics 2015-08-11 Mark Curran , Pavel Gurevich , Sergey Tikhomirov

Motivation: Stochastic reaction networks are a widespread model to describe biological systems where the presence of noise is relevant, such as in cell regulatory processes. Unfortu-nately, in all but simplest models the resulting discrete…

Quantitative Methods · Quantitative Biology 2021-01-12 Luca Cardelli , Isabel Cristina Perez-Verona , Mirco Tribastone , Max Tschaikowski , Andrea Vandin , Tabea Waizmann

A novel global energy model for multi-class semantic image segmentation is proposed that admits very efficient exact inference and derivative calculations for learning. Inference in this model is equivalent to MAP inference in a particular…

Computer Vision and Pattern Recognition · Computer Science 2016-04-04 Paul Vernaza

We consider the problem of inferring the unknown parameters of a stochastic biochemical network model from a single measured time-course of the concentration of some of the involved species. Such measurements are available, e.g., from…

Molecular Networks · Quantitative Biology 2011-11-22 Christian L. Muller , Rajesh Ramaswamy , Ivo F. Sbalzarini

Thermodynamic constraints on reactions directions are inherent in the structure of a given biochemical network. However, concrete procedures for determining feasible reaction directions for large-scale metabolic networks are not well…

Molecular Networks · Quantitative Biology 2007-05-23 Feng Yang , Feng Qi , Daniel A. Beard

In this paper we investigate the dynamical properties of a spatially periodic reaction-diffusion system {whose reaction terms are of hybrid nature in the sense that they are partly competitive and partly cooperative depending on the value…

Analysis of PDEs · Mathematics 2021-08-25 Quentin Griette , Hiroshi Matano

Within a fully microscopic setting, we derive a variational principle for the non-equilibrium steady states of chemical reaction networks, valid for time-scales over which chemical potentials can be taken to be slowly varying: at…

Molecular Networks · Quantitative Biology 2015-06-05 Andrea De Martino , Daniele De Martino , Roberto Mulet , Guido Uguzzoni

Reaction-diffusion equations are widely used as the governing evolution equations for modeling many physical, chemical, and biological processes. Here we derive reaction-diffusion equations to model transport with reactions on a…

Statistical Mechanics · Physics 2020-09-16 E. Abad , C. N. Angstmann , B. I. Henry , A. V. McGann , F. Le Vot , S. B. Yuste

In this paper, a reaction-diffusion system modeling injection of a chemotherapeutic drug on the surface of a living tissue during a treatment for cancer patients is studied. The system describes the interaction of the chemotherapeutic drug…

Analysis of PDEs · Mathematics 2024-08-20 Jeff Morgan , Bao Quoc Tang , Hong-Ming Yin

In many biological systems, the movement of individual agents is commonly characterized as having multiple qualitatively distinct behaviors that arise from various biophysical states. This is true for vesicles in intracellular transport,…

Subcellular Processes · Quantitative Biology 2022-07-25 Maria-Veronica Ciocanel , John Fricks , Peter R. Kramer , Scott A. McKinley