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Related papers: Semigroup models for biochemical reaction networks

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We consider how to generate chemical reaction networks (CRNs) from functional specifications. We propose a two-stage approach that combines synthesis by satisfiability modulo theories and Markov chain Monte Carlo based optimisation. First,…

Emerging Technologies · Computer Science 2015-08-19 Neil Dalchau , Niall Murphy , Rasmus Petersen , Boyan Yordanov

The quasi-steady state approximation and time-scale separation are commonly applied methods to simplify models of biochemical reaction networks based on ordinary differential equations (ODEs). The concentrations of the "fast" species are…

Dynamical Systems · Mathematics 2016-05-10 Meritxell Sáez , Carsten Wiuf , Elisenda Feliu

Representing molecular structures effectively in chemistry remains a challenging task. Language models and graph-based models are extensively utilized within this domain, consistently achieving state-of-the-art results across an array of…

Machine Learning · Computer Science 2025-05-27 Nikolai Rekut , Alexey Orlov , Klea Ziu , Elizaveta Starykh , Martin Takac , Aleksandr Beznosikov

Motivated by the question of how biological systems maintain homeostasis in changing environments, Shinar and Feinberg introduced in 2010 the concept of absolute concentration robustness (ACR). A biochemical system exhibits ACR in some…

The subordinate E-semigroups of a fixed E-semigroup are in one-to-one correspondence with local projection-valued cocycles of that semigroup. For the CCR flow we characterise these cocycles in terms of their stochastic generators, that is,…

Operator Algebras · Mathematics 2010-11-16 Stephen J. Wills

Autocatalytic sets are sets of entities that mutually catalyse each other's production through chemical reactions from a basic food source. Recently, the reflexively autocatalytic and food generated theory has introduced a formal definition…

Adaptation and Self-Organizing Systems · Physics 2020-09-15 Alessandro Ravoni

Continuous time Markov chains are commonly used as models for the stochastic behavior of chemical reaction networks. More precisely, these Stochastic Chemical Reaction Networks (SCRNs) are frequently used to gain a mechanistic understanding…

Probability · Mathematics 2025-11-18 Simone Bruno , Yi Fu , Felipe A. Campos , Domitilla Del Vecchio , Ruth J. Williams

The design and synthesis of complex and large mimicked biochemical networks de novo is an unsolved problem in synthetic biology. To address this limitation without resorting to ad hoc computations and experiments, a predictive mathematical…

Biological Physics · Physics 2015-01-21 Eisuke Chikayama , R. Craig Everroad

Information processing relying on biochemical interactions in the cellular environment is essential for biological organisms. The implementation of molecular computational systems holds significant interest and potential in the fields of…

Dynamical Systems · Mathematics 2023-12-01 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao , Denis Dochain

Hebbian theory seeks to explain how the neurons in the brain adapt to stimuli, to enable learning. An interesting feature of Hebbian learning is that it is an unsupervised method and as such, does not require feedback, making it suitable in…

Neurons and Cognition · Quantitative Biology 2022-06-07 Jakub Fil , Neil Dalchau , Dominique Chu

Dynamical systems arising from chemical reaction networks with mass action kinetics are the subject of chemical reaction network theory (CRNT). In particular, this theory provides statements about uniqueness, existence, and stability of…

Dynamical Systems · Mathematics 2014-06-26 Stefan Müller , Georg Regensburger

High-throughput data acquisition in synthetic biology leads to an abundance of data that need to be processed and aggregated into useful biological models. Building dynamical models based on this wealth of data is of paramount importance to…

Systems and Control · Computer Science 2018-09-25 Zoltan A. Tuza , Guy-Bart Stan

We investigate the dynamics of chemical reaction networks (CRNs) with the goal of deriving an upper bound on their reaction rates. This task is challenging due to the nonlinear nature and discrete structure inherent in CRNs. To address…

Chemical Physics · Physics 2023-09-20 Tsuyoshi Mizohata , Tetsuya J. Kobayashi , Louis-S. Bouchard , Hideyuki Miyahara

Elucidating the catalytic descriptor that accurately characterizes the structure-activity relationships of typical catalysts for various important heterogeneous catalytic reactions is pivotal for designing high-efficient catalytic systems.…

Chemical Physics · Physics 2025-10-23 Zhen Zhu , Shan Gao , Jing Zhang , Xuxin Kang , Shunfang Li , Xiangmei Duan

Self-propelled colloidal particles exhibit rich non-equilibrium phenomena and have promising applications in fields such as drug delivery and self-assembled active materials. Previous experimental and theoretical studies have shown that…

Soft Condensed Matter · Physics 2024-02-01 Zhiwei Peng , Raymond Kapral

Chemical reaction networks (CRN) comprise an important class of models to understand biological functions such as cellular information processing, the robustness and control of metabolic pathways, circadian rhythms, and many more. However,…

Molecular Networks · Quantitative Biology 2025-03-25 Dimitri Loutchko , Yuki Sughiyama , Tetsuya J. Kobayashi

A reaction network is a chemical system involving multiple reactions and chemical species. Stochastic models of such networks treat the system as a continuous time Markov chain on the number of molecules of each species with reactions as…

Probability · Mathematics 2007-05-23 Karen Ball , Thomas G. Kurtz , Lea Popovic , Greg Rempala

Dynamical systems theory provides powerful methods to extract effective macroscopic dynamics from complex systems with slow modes and fast modes. Here we derive and theoretically support a macroscopic, spatially discrete, model for a class…

Analysis of PDEs · Mathematics 2010-03-12 Wei Wang , A. J. Roberts

Recently the first chemical systems which show the amplification of enantiometric excess (ee) was found. Inspired by these experiments, we propose a few chemical reaction models in a closed system. The reactions consist of autocatalytic…

Biological Physics · Physics 2007-05-23 Yukio Saito , Hiroyuki Hyuga

Fermionic functional renormalization group (FRG) is applied to describe the superfluid phase transition of the two-component fermionic system with attractive contact interaction. Connection between the fermionic FRG approach and the…

Quantum Gases · Physics 2014-04-25 Yuya Tanizaki , Gergely Fejős , Tetsuo Hatsuda