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"Information Theory and Cell/Nanoparticle Modeling" icon

Information Theory and Cell/Nanoparticle Modeling

Physico-chemical models of cells and nanoparticles are being developed for pure and applied studies. Nanoparticles are simulated by a Poisson-Boltzmann equation (for determining the electric force field in bioelectrolyte media) while an all atom-simulator is used to determine structure. Both modules are optimized for supra-million atom systems. As atomicscale detail is accounted for these modules can determine the influence of cell surface receptors (e.g. binding, destabilization or entry into a membrane) of the nanoparticle. Microarray data is analyzed by integrating cell modeling and databases with information theory. The result is an automated procedure for discovering the structure of the gene regulatory network and quantifying its physical chemistry. Information theory plays a key role... Show More


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