Molecular modeling databases: A new way in the search of protein targets for drug development

DBMODELING is a relational database of annotated comparative protein structure models and their metabolic, pathway characterization. It is focused on enzymes identified in the genomes of Mycobacterium tuberculosis and Xylella fastidiosa. The main goal of the present database is to provide structural models to be used in docking simulations and drug design. However, since the accuracy of structural models is highly dependent on sequence identity between template and target, it is necessary to make clear to the user that only models which show high structural quality should be used in such efforts. Molecular modeling of these genomes generated a database, in which all structural models were built using alignments presenting more than 30% of sequence identity, generating models with medium and high accuracy. All models in the database are publicly accessible at http://www.biocristalografia.df.ibilce.unesp.br/tools. DBMODELING user interface provides users friendly menus, so that all information can be printed in one stop from any web browser. Furthermore, DBMODELING also provides a docking interface, which allows the user to carry out geometric docking simulation, against the molecular models available in the database. There are three other important homology model databases: MODBASE, SWISSMODEL, and GTOP. The main applications of these databases are described in the present article. © 2007 Bentham Science Publishers Ltd.

Architecture for peer-to-peer databases with routing queries using ant colony algorithm and semantic support

In a peer-to-peer network, the nodes interact with each other by sharing resources, services and information. Many applications have been developed using such networks, being a class of such applications are peer-to-peer databases. The peer-to-peer databases systems allow the sharing of unstructured data, being able to integrate data from several sources, without the need of large investments, because they are used existing repositories. However, the high flexibility and dynamicity of networks the network, as well as the absence of a centralized management of information, becomes complex the process of locating information among various participants in the network. In this context, this paper presents original contributions by a proposed architecture for a routing system that uses the Ant Colony algorithm to optimize the search for desired information supported by ontologies to add semantics to shared data, enabling integration among heterogeneous databases and the while seeking to reduce the message traffic on the network without causing losses in the amount of responses, confirmed by the improve of 22.5% in this amount. © 2011 IEEE.

Multi-relational algorithm for mining association rules in large databases

Multi-relational data mining enables pattern mining from multiple tables. The existing multi-relational mining association rules algorithms are not able to process large volumes of data, because the amount of memory required exceeds the amount available. The proposed algorithm MRRadix presents a framework that promotes the optimization of memory usage. It also uses the concept of partitioning to handle large volumes of data. The original contribution of this proposal is enable a superior performance when compared to other related algorithms and moreover successfully concludes the task of mining association rules in large databases, bypass the problem of available memory. One of the tests showed that the MR-Radix presents fourteen times less memory usage than the GFP-growth. © 2011 IEEE.