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Erschienen in:
2015 | OriginalPaper | Buchkapitel
Managing Reproducible Computational Experiments with Curated Proteins in KINARI-2
verfasst von : John C. Bowers, Rose Tharail John, Ileana Streinu
Erschienen in: Bioinformatics Research and Applications
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KINARI-2 is the second release of the web server KINARI-Web for rigidity and flexibility of biomolecules. Besides incorporating new web technologies and making substantially improved tools available to the user, KINARI-2 is designed to automatically ensure the reproducibility of its computational experiments. It is also designed to facilitate incorporating third-party software into computational pipelines and to simplify the process of large scale validation of its underlying model through comprehensive comparisons with other competing coarse-grained models. In this paper we describe the underlying architecture of the new system, as it pertains to experiment management and reproducibility.