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Electrical and Computer Engineering

Electrical and Computer Engineering Faculty Publications and Presentations

2016

Chemical reactions -- Simulation methods

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Full-Text Articles in Engineering

Coel: A Cloud-Based Reaction Network Simulator, Peter Banda, Christof Teuscher Apr 2016

Coel: A Cloud-Based Reaction Network Simulator, Peter Banda, Christof Teuscher

Electrical and Computer Engineering Faculty Publications and Presentations

Chemical Reaction Networks (CRNs) are a formalism to describe the macroscopic behavior of chemical systems. We introduce COEL, a web- and cloud-based CRN simulation framework, which does not require a local installation, runs simulations on a large computational grid, provides reliable database storage, and offers a visually pleasing and intuitive user interface. We present an overview of the underlying software, the technologies, and the main architectural approaches employed. Some of COEL’s key features include ODE-based simulations of CRNs and multicompartment reaction networks with rich interaction options, a built-in plotting engine, automatic DNA-strand displacement transformation and visualization, SBML/Octave/Matlab export, and a …