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The use of mathematical methods for the analysis of chemical reaction systems has a very long history, and involves many types of models: deterministic versus stochastic, continuous versus discrete, and homogeneous versus spatially…

Molecular Networks · Quantitative Biology 2018-05-29 Polly Y. Yu , Gheorghe Craciun

A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…

Probability · Mathematics 2010-11-09 Hye-Won Kang , Thomas G. Kurtz

We propose and investigate general kinetic models %of Boltzmann type with transition probabilities that can describe the simultaneous change of multiple microscopic states of the interacting agents. These models can be applied to many…

Mathematical Physics · Physics 2023-02-23 Marzia Bisi , Nadia Loy

Many cellular behaviors are regulated by gene regulation networks, kinetics of which is one of the main subjects in the study of systems biology. Because of the low number molecules in these reacting systems, stochastic effects are…

Quantitative Methods · Quantitative Biology 2011-04-26 Jinzhi Lei

In the past one hundred years, deterministic rate equations have been successfully used to infer enzyme-catalysed reaction mechanisms and to estimate rate constants from reaction kinetics experiments conducted in vitro. In recent years,…

Subcellular Processes · Quantitative Biology 2013-12-02 Ramon Grima , Nils Walter , Santiago Schnell

Mathematical models of physical systems are subject to many uncertainties such as measurement errors and uncertain initial and boundary conditions. After accounting for these uncertainties, it is often revealed that discrepancies between…

Computational Engineering, Finance, and Science · Computer Science 2018-05-23 Rebecca E Morrison , Todd A Oliver , Robert D Moser

Biochemical reaction networks are subjected to large fluctuations attributable to small molecule numbers, yet underlie reliable biological functions. Most theoretical approaches describe them as purely deterministic or stochastic dynamical…

Molecular Networks · Quantitative Biology 2013-06-11 Jingkui Wang , Marc Lefranc , Quentin Thommen

The notion of (auto) catalytic networks has become a cornerstone in understanding the possibility of a sudden dramatic increase of diversity in biological evolution as well as in the evolution of social and economical systems. Here we study…

Other Condensed Matter · Physics 2016-10-05 Rudolf Hanel , Stuart A. Kauffman , Stefan Thurner

Computational studies of chemical reactions in complex environments such as proteins, nanostructures, or on surfaces require accurate and efficient atomistic models applicable to the nanometer scale. In general, an accurate parametrization…

Chemical Physics · Physics 2020-02-18 Christoph Brunken , Markus Reiher

We distinguish a mechanical representation of the world in terms of point masses with positions and momenta and the chemical representation of the world in terms of populations of different individuals, each with intrinsic stochasticity,…

Statistical Mechanics · Physics 2019-05-07 Hong Qian

Reaction networks are widely used models to describe biochemical processes. Stochastic fluctuations in the counts of biological macromolecules have amplified consequences due to their small population sizes. This makes it necessary to favor…

Probability · Mathematics 2022-02-28 Daniele Cappelletti , Badal Joshi

Inferring parameters of models of biochemical kinetics from single-cell data remains challenging because of the uncertainty arising from the intractability of the likelihood function of stochastic reaction networks. Such uncertainty falls…

Quantitative Methods · Quantitative Biology 2025-01-14 Zekai Li , Mauricio Barahona , Philipp Thomas

Autocatalytic reaction system with a small number of molecules is studied numerically by stochastic particle simulations. A novel state due to fluctuation and discreteness in molecular numbers is found, characterized as extinction of…

Biological Physics · Physics 2007-05-23 Yuichi Togashi , Kunihiko Kaneko

Protocells are supposed to have played a key role in the self-organizing processes leading to the emergence of life. Existing models either (i) describe protocell architecture and dynamics, given the existence of sets of collectively…

Molecular Networks · Quantitative Biology 2014-08-01 Roberto Serra , Alessandro Filisetti , Marco Villani , Alex Graudenzi , Chiara Damiani , Tommaso Panini

Over the last years, analyses performed on a stochastic model of catalytic reaction networks have provided some indications about the reasons why wet-lab experiments hardly ever comply with the phase transition typically predicted by…

Computational Engineering, Finance, and Science · Computer Science 2013-10-01 Chiara Damiani , Alessandro Filisetti , Alex Graudenzi , Marco Villani , Roberto Serra

Chemical kinetics plays an important role in governing the thermal evolution in reactive flows problems. The possible interactions between chemical species increase drastically with the number of species considered in the system. Various…

Instrumentation and Methods for Astrophysics · Physics 2022-07-18 Kwok Sun Tang , Matthew Turk

As ecologists increasingly adopt stochastic models over deterministic ones, the question arises: when is this a positive development and when is this an unnecessary complication? While deterministic models -- like the Lotka-Volterra model…

Populations and Evolution · Quantitative Biology 2024-10-15 Evan C. Johnson , Tad Dallas , Alan Hastings

External flows of energy, entropy, and matter can cause sudden transitions in the stability of biological and industrial systems, fundamentally altering their dynamical function. How might we control and design these transitions in chemical…

Molecular Networks · Quantitative Biology 2023-06-19 Zachary G. Nicolaou , Schuyler B. Nicholson , Adilson E. Motter , Jason R. Green

Kinetic equations play a major rule in modeling large systems of interacting particles. Recently the legacy of classical kinetic theory found novel applications in socio-economic and life sciences, where processes characterized by large…

Numerical Analysis · Mathematics 2017-06-26 Giacomo Dimarco , Lorenzo Pareschi , Mattia Zanella

The dominant paradigm in origin of life research is that of an RNA world. However, despite experimental progress towards the spontaneous formation of RNA, the RNA world hypothesis still has its problems. Here, we introduce a novel…

Molecular Networks · Quantitative Biology 2017-01-31 Wim Hordijk