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Thermodynamic simulation of chemical and metallurgical systems is the only method to predict their equilibrium composition and is the most important application of chemical thermodynamics. The conventional strategy of simulation is always…

化学物理 · 物理学 2007-05-23 B. Zilbergleyt

In the first part of this paper we give a short review of the hierarchy of stochastic models, related to physical chemistry. In the basement of this hierarchy there are two models --- stochastic chemical kinetics and the Kac model for…

数学物理 · 物理学 2011-12-26 V. A. Malyshev

We present a model for continuous cell culture coupling intra-cellular metabolism to extracellular variables describing the state of the bioreactor, taking into account the growth capacity of the cell and the impact of toxic byproduct…

分子网络 · 定量生物学 2017-11-21 Jorge Fernandez-de-Cossio-Diaz , Kalet León , Roberto Mulet

The presented previously indirect optimization method (IOM) developed within biochemical systems theory (BST) provides a versatile and mathematically tractable optimization strategy for biochemical systems. However, due to the local…

定量方法 · 定量生物学 2007-06-13 Gongxian Xu , Cheng Shao , Zhilong Xiu

Deciphering the control principles of metabolism and its interaction with other cellular functions is central to biomedicine and biotechnology. Yet, understanding the efficient control of metabolic fluxes remains elusive for large-scale…

分子网络 · 定量生物学 2015-09-04 Georg Basler , Zoran Nikoloski , Abdelhalim Larhlimi , Albert-László Barabási , Yang-Yu Liu

Metabolism plays a central role in cell physiology because it provides the molecular machinery for growth. At the genome-scale, metabolism is made up of thousands of reactions interacting with one another. Untangling this complexity is key…

分子网络 · 定量生物学 2020-12-21 Varshit Dusad , Denise Thiel , Mauricio Barahona , Hector C. Keun , Diego A. Oyarzún

Metabolic flux balance analyses are a standard tool in analysing metabolic reaction rates compatible with measurements, steady-state and the metabolic reaction network stoichiometry. Flux analysis methods commonly place unrealistic…

In a recent paper, Marr, Muller-Linow and Hutt [Phys. Rev. E 75, 041917 (2007)] investigate an artificial dynamic system on metabolic networks. They find a less complex time evolution of this dynamic system in real networks, compared to…

分子网络 · 定量生物学 2008-02-06 Petter Holme , Mikael Huss

A new approach to computing the equilibria and steady-states of biomolecular systems modelled by bond graphs is presented. The approach is illustrated using a model of a biomolecular cycle representing a membrane transporter and a model of…

分子网络 · 定量生物学 2019-07-04 Peter J. Gawthrop

Continuous-time Markov chains are frequently used as stochastic models for chemical reaction networks, especially in the growing field of systems biology. A fundamental problem for these Stochastic Chemical Reaction Networks (SCRNs) is to…

Control problem in a biological system is the problem of finding an interventional policy for changing the state of the biological system from an undesirable state, e.g. disease, into a desirable healthy state. Boolean networks are utilized…

分子网络 · 定量生物学 2016-09-07 Mohammad Moradi , Sama Goliaei

We have developed a coarse-grained formulation for modeling the dynamic behavior of cells quantitatively, based on stochasticity and heterogeneity, rather than on biochemical reactions. We treat each reaction as a continuous-time stochastic…

分子网络 · 定量生物学 2015-05-28 Shunsuke Teraguchi , Yutaro Kumagai , Alexis Vandenbon , Shizuo Akira , Daron M Standley

Small systems in a thermodynamic medium --- like colloids in a suspension or the molecular machinery in living cells --- are strongly affected by the thermal fluctuations of their environment. Physicists model such systems by means of…

统计力学 · 物理学 2014-10-16 Bernhard Altaner

While ordinary differential equations (ODEs) form the conceptual framework for modelling many cellular processes, specific situations demand stochastic models to capture the influence of noise. The most common formulation of stochastic…

亚细胞过程 · 定量生物学 2009-04-02 Mukhtar Ullah , Olaf Wolkenhauer

Molecular communication (MC) enables cooperation of spatially dispersed molecular robots through the feedback control mediated by diffusing signal molecules. However, conventional analysis frameworks for the MC channels mostly consider the…

系统与控制 · 电气工程与系统科学 2025-08-11 Taishi Kotsuka , Yutaka Hori

Translating metabolic networks into dynamic models is difficult if kinetic constants are unknown. Structural Kinetic Modelling (SKM) replaces reaction elasticities by independent random numbers. Here I propose a variant that accounts for…

分子网络 · 定量生物学 2022-03-08 Wolfram Liebermeister

Stochastic models such as Continuous-Time Markov Chains (CTMC) and Stochastic Hybrid Automata (SHA) are powerful formalisms to model and to reason about the dynamics of biological systems, due to their ability to capture the stochasticity…

计算机科学中的逻辑 · 计算机科学 2013-09-05 Ezio Bartocci , Luca Bortolussi , Laura Nenzi , Guido Sanguinetti

The computer revolution has been driven by a sustained increase of computational speed of approximately one order of magnitude (a factor of ten) every five years since about 1950. In natural sciences this has led to a continuous increase of…

统计力学 · 物理学 2007-09-06 Bernd A. Berg

Living systems are maintained out-of-equilibrium by external driving forces. At stationarity, they exhibit emergent selection phenomena that break equilibrium symmetries and originate from the expansion of the accessible chemical space due…

统计力学 · 物理学 2026-04-01 Shiling Liang , Paolo De Los Rios , Daniel Maria Busiello

Biological systems perform an astonishing array of dynamical processes -- including development and repair, regulation, behavior and motor control, sensing and signaling, and adaptation, among others. Powered by the transduction of stored…

软凝聚态物质 · 物理学 2025-09-04 James Clarke , Jake McGrath , Colin Johnson , José Alvarado