16,391 research outputs found
Bifurcation discovery tool
Motivation: Biochemical networks often yield interesting behavior such as switching, oscillation and chaotic dynamics. This article describes a tool that is capable of searching for bifurcation points in arbitrary ODE-based reaction networks by directing the user to regions in the parameter space, where such interesting dynamical behavior can be observed.
Results: We have implemented a genetic algorithm that searches for Hopf bifurcations, turning points and bistable switches. The software is implemented as a Systems Biology Workbench (SBW) enabled module and accepts the standard SBML model format. The interface permits a user to choose the parameters to be searched, admissible parameter ranges, and the nature of the bifurcation to be sought. The tool will return the parameter values for the model for which the particular behavior is observed.
Availability: The software, tutorial manual and test models are available for download at the following website: http:/www.sys-bio.org/ under the bifurcation link. The software is an open source and licensed under BSD
Finding weakly reversible realizations of chemical reaction networks using optimization
An algorithm is given in this paper for the computation of dynamically
equivalent weakly reversible realizations with the maximal number of reactions,
for chemical reaction networks (CRNs) with mass action kinetics. The original
problem statement can be traced back at least 30 years ago. The algorithm uses
standard linear and mixed integer linear programming, and it is based on
elementary graph theory and important former results on the dense realizations
of CRNs. The proposed method is also capable of determining if no dynamically
equivalent weakly reversible structure exists for a given reaction network with
a previously fixed complex set.Comment: 18 pages, 9 figure
Energy-based Analysis of Biochemical Cycles using Bond Graphs
Thermodynamic aspects of chemical reactions have a long history in the
Physical Chemistry literature. In particular, biochemical cycles - the
building-blocks of biochemical systems - require a source of energy to
function. However, although fundamental, the role of chemical potential and
Gibb's free energy in the analysis of biochemical systems is often overlooked
leading to models which are physically impossible. The bond graph approach was
developed for modelling engineering systems where energy generation, storage
and transmission are fundamental. The method focuses on how power flows between
components and how energy is stored, transmitted or dissipated within
components. Based on early ideas of network thermodynamics, we have applied
this approach to biochemical systems to generate models which automatically
obey the laws of thermodynamics. We illustrate the method with examples of
biochemical cycles. We have found that thermodynamically compliant models of
simple biochemical cycles can easily be developed using this approach. In
particular, both stoichiometric information and simulation models can be
developed directly from the bond graph. Furthermore, model reduction and
approximation while retaining structural and thermodynamic properties is
facilitated. Because the bond graph approach is also modular and scaleable, we
believe that it provides a secure foundation for building thermodynamically
compliant models of large biochemical networks
Finding complex balanced and detailed balanced realizations of chemical reaction networks
Reversibility, weak reversibility and deficiency, detailed and complex
balancing are generally not "encoded" in the kinetic differential equations but
they are realization properties that may imply local or even global asymptotic
stability of the underlying reaction kinetic system when further conditions are
also fulfilled. In this paper, efficient numerical procedures are given for
finding complex balanced or detailed balanced realizations of mass action type
chemical reaction networks or kinetic dynamical systems in the framework of
linear programming. The procedures are illustrated on numerical examples.Comment: submitted to J. Math. Che
Language-based Abstractions for Dynamical Systems
Ordinary differential equations (ODEs) are the primary means to modelling
dynamical systems in many natural and engineering sciences. The number of
equations required to describe a system with high heterogeneity limits our
capability of effectively performing analyses. This has motivated a large body
of research, across many disciplines, into abstraction techniques that provide
smaller ODE systems while preserving the original dynamics in some appropriate
sense. In this paper we give an overview of a recently proposed
computer-science perspective to this problem, where ODE reduction is recast to
finding an appropriate equivalence relation over ODE variables, akin to
classical models of computation based on labelled transition systems.Comment: In Proceedings QAPL 2017, arXiv:1707.0366
Computational Modeling for the Activation Cycle of G-proteins by G-protein-coupled Receptors
In this paper, we survey five different computational modeling methods. For
comparison, we use the activation cycle of G-proteins that regulate cellular
signaling events downstream of G-protein-coupled receptors (GPCRs) as a driving
example. Starting from an existing Ordinary Differential Equations (ODEs)
model, we implement the G-protein cycle in the stochastic Pi-calculus using
SPiM, as Petri-nets using Cell Illustrator, in the Kappa Language using
Cellucidate, and in Bio-PEPA using the Bio-PEPA eclipse plug in. We also
provide a high-level notation to abstract away from communication primitives
that may be unfamiliar to the average biologist, and we show how to translate
high-level programs into stochastic Pi-calculus processes and chemical
reactions.Comment: In Proceedings MeCBIC 2010, arXiv:1011.005
- …