PACE has integrated the conception, modeling and simulation of artificial chemical cells and their subsystems as complex information systems. This includes the formulation of a roadmap and graphical classification language for artificial cells. Physical self-assembly of components to microscale structures provides a powerful mechanism of constructive information processing. A coherent simulation perspective at various scales is provided through a virtual lab site integrating experience with a variety of novel (and established) simulation tools, in the design of artificial cells. The conceptual significance of artificial cells for future ICT is surveyed in the separate chapter ICT implications.
Artificial cells: conception and simulation
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Modeling artificial cells
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A Synthetic Chemoton
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The Los Alamos Bug
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Quantum mechanical models of components and logic
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Molecular Dynamics of lipid aggregates
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Autocatalytic reaction networks for artificial cells
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Continuum models of vesicular protocells
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Towards multiscale simulation
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Micellar protocell life-cycle by reactive DPD
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Vesicular protocell life-cycle by mprDPD
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The Virtual Lab
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Summary and Conclusions