Abstract. The information infrastructure in today's businesses consists of many interoperating autonomous systems. Changes to a single system can therefore have an unexpected impact on other, dependent systems. In our Caro approach we try to cope with this problem by observing each system participating in the infrastructure and analyzing the impact of any change that occurs. The analysis process is driven by declaratively defined rules and works with a generic and extensible graph model to represent the relevant metadata that is subject to changes. This makes Caro applicable to heterogeneous scenarios and customizable to special needs.
Many model management tasks, e.g., schema matching or merging, require the manual handling of metadata. Given the diversity of metadata, its many different representations and modes of manipulation, meta-modeland task-specific editors usually have to be created from scratch with a considerable investment in time and effort. To ease the creation of custom-tailored editing facilities, we present GEM, a generic editor capable of visualizing and editing arbitrary metadata in an integrated manner. GEM provides a stylesheet language based on graph transformations to customize both, the mode of visualization and the available manipulation operations.Keywords Model management · Graph transformations · Model visualization The importance of metadataThe vision of generic model management [1,12] aims at reducing the effort to create metadata-intensive applications by defining generic operators that work on entire models and providing a model management system that implements these operators. Metadata-intensive applications can then be built on these systems like data-intensive applications are This paper is an extended and revised version of an earlier work presented at the BTW 2009 [7]. built on database management systems today. Examples of such applications include the broad area of information integration or the development of complex software systems.In our research group, we work on novel approaches to create and maintain information integration systems. Creating an integration system subsumes numerous tasks, which all require the handling of metadata artifacts: Integrated schemas are designed from scratch or created by merging the source schemas. Semantic correspondences between the schemas have to be identified and be made explicit by schema matching. Based on these correspondences or "matches", mappings that perform the required data transformations have to be developed, e.g., by configuring wrappers of a federated DBMS and specifying view definitions over the wrapped sources, or by creating ETL scripts for replication-based integration. Existing integration systems need intensive maintenance operations: Changes to system components require the modification of matches and mappings.More than thirty years of research have resulted in numerous approaches to automate some of these tasks, like automatic schema matching and merging techniques. However, for the foreseeable future, these approaches can at best be used in a semi-automatic fashion, therefore requiring human expertise to review, correct, and amend their results. Other tasks, like the design of schemas and software artifacts, are intrinsically manual. Human integration experts and software engineers therefore have to be provided with suitable interfaces to manipulate the many different kinds of metadata required for these tasks: Database schemas are often designed using conceptual metamodels like one of the many E/R variants, and are only later mapped to physical schemas, represented by a data definition language of the respective data model like SQL DDL or XSD...
Biomolecular association and dissociation reactions take place on complicated interaction free energy landscapes that are still very hard to characterize computationally. For large enough distances, though, it often suffices to consider the six relative translational and rotational degrees of freedom of the two particles treated as rigid bodies. Here, we computed the six-dimensional free energy surface of a dimer of water-soluble alpha-helices by scanning these six degrees of freedom in about one million grid points. In each point, the relative free energy difference was computed as the sum of the polar and nonpolar solvation free energies of the helix dimer and of the intermolecular coulombic interaction energy. The Dijkstra graph algorithm was then applied to search for the lowest cost dissociation pathways based on a weighted, directed graph, where the vertices represent the grid points, the edges connect the grid points and their neighbors, and the weights are the reaction costs between adjacent pairs of grid points. As an example, the configuration of the bound state was chosen as the source node, and the eight corners of the translational cube were chosen as the destination nodes. With the strong electrostatic interaction of the two helices giving rise to a clearly funnel-shaped energy landscape, the eight lowest-energy cost pathways coming from different orientations converge into a well-defined pathway for association. We believe that the methodology presented here will prove useful for identifying low-energy association and dissociation pathways in future studies of complicated free energy landscapes for biomolecular interaction.
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