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Phosphorelays are a class of signaling mechanisms used by cells to respond to changes in their environment. Phosphorelays (of which two-component systems constitute a special case) are particularly abundant in prokaryotes and have been…

Molecular Networks · Quantitative Biology 2011-09-26 Michael Knudsen , Elisenda Feliu , Carsten Wiuf

This work addresses whether a reaction network, taken with mass-action kinetics, is multistationary, that is, admits more than one positive steady state in some stoichiometric compatibility class. We build on previous work on the effect…

Molecular Networks · Quantitative Biology 2019-08-27 AmirHosein Sadeghimanesh , Elisenda Feliu

Double phosphorylation of protein kinases is a common feature of signalling cascades. This motif may reduce cross-talk between signalling pathways, as the second phosphorylation site allows for proofreading, especially when phosphorylation…

Molecular Networks · Quantitative Biology 2015-05-26 Thomas E. Ouldridge , Pieter Rein ten Wolde

We show that finite-size, disordered molecular networks can mediate highly efficient, coherent excitation transfer which is robust against ambient dephasing and associated with strong multi-site entanglement. Such optimal, random molecular…

Protein phosphorylation is a reversible post-translational modification commonly used by cell signaling networks to transmit information about the extracellular environment into intracellular organelles for the regulation of the activity…

Molecular Networks · Quantitative Biology 2016-11-17 Marylens Hernandez , Alexander Lachmann , Shan Zhao , Kunhong Xiao , Avi Ma'ayan

Some of the most common mathematical models in biology, chemistry, physics, and engineering, are polynomial dynamical systems, i.e., systems of differential equations with polynomial right-hand sides. Inspired by notions and results that…

Dynamical Systems · Mathematics 2019-01-10 Gheorghe Craciun

The distributive sequential n-site phosphorylation/dephosphorylation system is an important building block in networks of chemical reactions arising in molecular biology, which has been intensively studied. In the nice paper of Wang and…

Molecular Networks · Quantitative Biology 2019-04-29 Magalí Giaroli , Rick Rischter , Mercedes Pérez Millán , Alicia Dickenstein

Multisite phosphorylation plays an important role in regulating switchlike protein activity and has been used widely in mathematical models. With the development of new experimental techniques and more molecular data, molecular…

Molecular Networks · Quantitative Biology 2020-09-15 Minghan Chen , Mansooreh Ahmadian , Layne Watson , Yang Cao

The multiple futile cycle is a phosphorylation system in which a molecular substrate might be phosphorylated sequentially n times by means of an enzymatic mechanism. The system has been studied mathematically using reaction network theory…

Molecular Networks · Quantitative Biology 2020-10-28 Elisenda Feliu , Alan D. Rendall , Carsten Wiuf

Molecular systems containing donor-bridge-acceptor sites or molecular antennas constitute promising candidates for organic photovoltaic device implementation. Photo-induced electron transfer in multi-chromophore molecular systems is defined…

Chemical Physics · Physics 2021-06-09 Duvalier Madrid-Úsuga , John H. Reina

The practical description of disordered chemical reactions, where reactions involve multiple species at multiple sites, is presently challenge using correlated electronic structure methods. Here we describe the gradient theory of…

Chemical Physics · Physics 2023-04-19 Chenghan Li , Junjie Yang , Xing Zhang , Garnet Kin-Lic Chan

The theory of monotone dynamical systems has been found very useful in the modeling of some gene, protein, and signaling networks. In monotone systems, every net feedback loop is positive. On the other hand, negative feedback loops are…

Dynamical Systems · Mathematics 2009-11-13 Liming Wang , Eduardo Sontag

Here we focus on the challenge of verifying the correctness of molecular implementations of abstract chemical reaction networks, where operation in a well-mixed "soup" of molecules is stochastic, asynchronous, concurrent, and often involves…

Computational Engineering, Finance, and Science · Computer Science 2019-10-01 Seung Woo Shin , Chris Thachuk , Erik Winfree

We prove that every partial action of an inverse semigroupoid on a set admits a universal globalization. Moreover, we show that our construction gives a reflector from the category of partial actions on the full subcategory of global…

Operator Algebras · Mathematics 2024-05-01 Paulinho Demeneghi , Felipe Augusto Tasca

We extend the concept that life is an informational phenomenon, at every level of organisation, from molecules to the global ecological system. According to this thesis: (a) living is information processing, in which memory is maintained by…

Information Theory · Computer Science 2014-02-17 Keith D. Farnsworth , John Nelson , Carlos Gershenson

The global existence of renormalised solutions and convergence to equilibrium for reaction-diffusion systems with non-linear diffusion are investigated. The system is assumed to have quasi-positive non-linearities and to satisfy an entropy…

Analysis of PDEs · Mathematics 2021-09-27 Klemens Fellner , Julian Fischer , Michael Kniely , Bao Quoc Tang

When an electron or a hole is added into an orbital of an adsorbed molecule the substrate electrons will rearrange in order to screen the added charge. This results in a reduction of the electron addition/removal energies as compared to the…

Materials Science · Physics 2009-11-13 Kristian S. Thygesen , Angel Rubio

Complex networks are a successful framework to describe collective behaviour in many applications, but a notable gap remains in the current literature, that of proving asymptotic convergence in networks of piecewise-smooth systems. Indeed,…

Systems and Control · Computer Science 2020-12-03 Marco Coraggio , Pietro DeLellis , Mario di Bernardo

A monolithic process is a single recursive equation with data parameters, which only uses non-determinism, action prefixing, and recursion. We present a technique that decomposes such a monolithic process into multiple processes where each…

Logic in Computer Science · Computer Science 2021-10-04 Maurice Laveaux , Tim A. C. Willemse

Multistationarity in molecular systems underlies switch-like responses in cellular decision making. Determining whether and when a system displays multistationarity is in general a difficult problem. In this work we completely determine the…

Molecular Networks · Quantitative Biology 2020-04-15 E. Feliu , N. Kaihnsa , T. de Wolff , O. Yürük