166 research outputs found
PathwayAccess: CellDesigner plugins for pathway databases
Summary: CellDesigner provides a user-friendly interface for graphical biochemical pathway description. Many pathway databases are not directly exportable to CellDesigner models. PathwayAccess is an extensible suite of CellDesigner plugins, which connect CellDesigner directly to pathway databases using respective Java application programming interfaces. The process is streamlined for creating new PathwayAccess plugins for specific pathway databases. Three PathwayAccess plugins, MetNetAccess, BioCycAccess and ReactomeAccess, directly connect CellDesigner to the pathway databases MetNetDB, BioCyc and Reactome. PathwayAccess plugins enable CellDesigner users to expose pathway data to analytical CellDesigner functions, curate their pathway databases and visually integrate pathway data from different databases using standard Systems Biology Markup Language and Systems Biology Graphical Notation
COEL: A Web-based Chemistry Simulation Framework
The chemical reaction network (CRN) is a widely used formalism to describe
macroscopic behavior of chemical systems. Available tools for CRN modelling and
simulation require local access, installation, and often involve local file
storage, which is susceptible to loss, lacks searchable structure, and does not
support concurrency. Furthermore, simulations are often single-threaded, and
user interfaces are non-trivial to use. Therefore there are significant hurdles
to conducting efficient and collaborative chemical research. In this paper, we
introduce a new enterprise chemistry simulation framework, COEL, which
addresses these issues. COEL is the first web-based framework of its kind. A
visually pleasing and intuitive user interface, simulations that run on a large
computational grid, reliable database storage, and transactional services make
COEL ideal for collaborative research and education. COEL's most prominent
features include ODE-based simulations of chemical reaction networks and
multicompartment reaction networks, with rich options for user interactions
with those networks. COEL provides DNA-strand displacement transformations and
visualization (and is to our knowledge the first CRN framework to do so), GA
optimization of rate constants, expression validation, an application-wide
plotting engine, and SBML/Octave/Matlab export. We also present an overview of
the underlying software and technologies employed and describe the main
architectural decisions driving our development. COEL is available at
http://coel-sim.org for selected research teams only. We plan to provide a part
of COEL's functionality to the general public in the near future.Comment: 23 pages, 12 figures, 1 tabl
Payao: a community platform for SBML pathway model curation
Summary: Payao is a community-based, collaborative web service platform for gene-regulatory and biochemical pathway model curation. The system combines Web 2.0 technologies and online model visualization functions to enable a collaborative community to annotate and curate biological models. Payao reads the models in Systems Biology Markup Language format, displays them with CellDesigner, a process diagram editor, which complies with the Systems Biology Graphical Notation, and provides an interface for model enrichment (adding tags and comments to the models) for the access-controlled community members
The Nondeterministic Waiting Time Algorithm: A Review
We present briefly the Nondeterministic Waiting Time algorithm. Our technique
for the simulation of biochemical reaction networks has the ability to mimic
the Gillespie Algorithm for some networks and solutions to ordinary
differential equations for other networks, depending on the rules of the
system, the kinetic rates and numbers of molecules. We provide a full
description of the algorithm as well as specifics on its implementation. Some
results for two well-known models are reported. We have used the algorithm to
explore Fas-mediated apoptosis models in cancerous and HIV-1 infected T cells
Quantifying the implicit process flow abstraction in SBGN-PD diagrams with Bio-PEPA
For a long time biologists have used visual representations of biochemical
networks to gain a quick overview of important structural properties. Recently
SBGN, the Systems Biology Graphical Notation, has been developed to standardise
the way in which such graphical maps are drawn in order to facilitate the
exchange of information. Its qualitative Process Diagrams (SBGN-PD) are based
on an implicit Process Flow Abstraction (PFA) that can also be used to
construct quantitative representations, which can be used for automated
analyses of the system. Here we explicitly describe the PFA that underpins
SBGN-PD and define attributes for SBGN-PD glyphs that make it possible to
capture the quantitative details of a biochemical reaction network. We
implemented SBGNtext2BioPEPA, a tool that demonstrates how such quantitative
details can be used to automatically generate working Bio-PEPA code from a
textual representation of SBGN-PD that we developed. Bio-PEPA is a process
algebra that was designed for implementing quantitative models of concurrent
biochemical reaction systems. We use this approach to compute the expected
delay between input and output using deterministic and stochastic simulations
of the MAPK signal transduction cascade. The scheme developed here is general
and can be easily adapted to other output formalisms
Arcadia: a visualization tool for metabolic pathways
Summary: Arcadia translates text-based descriptions of biological networks (SBML files) into standardized diagrams (SBGN PD maps). Users can view the same model from different perspectives and easily alter the layout to emulate traditional textbook representations
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