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Abstract Models of insulin secretory vesicles from pancreatic beta cells have been created using the cellPACK suite of tools to research, curate, construct and visualise the current state of knowledge. The model integrates experimental information from proteomics, structural biology, cryoelectron microscopy and X-ray tomography, and is used to generate models of mature and immature vesicles. A new method was developed to generate a confidence score that reconciles inconsistencies between three available proteomes using expert annotations of cellular localisation. The models are used to simulate soft X-ray tomograms, allowing quantification of features that are observed in experimental tomograms, and in turn, allowing interpretation of X-ray tomograms at the molecular level.more » « less
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Gardner, Adam; Autin, Ludovic; Fuentes, Daniel; Maritan, Martina; Barad, Benjamin A.; Medina, Michaela; Olson, Arthur J.; Grotjahn, Danielle A.; Goodsell, David S. (, Frontiers in Bioinformatics)CellPAINT is an interactive digital tool that allows non-expert users to create illustrations of the molecular structure of cells and viruses. We present a new release with several key enhancements, including the ability to generate custom ingredients from structure information in the Protein Data Bank, and interaction, grouping, and locking functions that streamline the creation of assemblies and illustration of large, complex scenes. An example of CellPAINT as a tool for hypothesis generation in the interpretation of cryoelectron tomograms is presented. CellPAINT is freely available at http://ccsb.scripps.edu/cellpaint .more » « less
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Goodsell, David S.; Autin, Ludovic; Olson, Arthur J. (, Structure)
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Jewett, Andrew I.; Stelter, David; Lambert, Jason; Saladi, Shyam M.; Roscioni, Otello M.; Ricci, Matteo; Autin, Ludovic; Maritan, Martina; Bashusqeh, Saeed M.; Keyes, Tom; et al (, Journal of Molecular Biology)null (Ed.)
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