Pharma-2: Federated Portal

This Prototype allows seamlessly access to local and distributed applications. This portal integrated a variety of key SIMDAT technologies like Grid, Workflow, Knowledge, and the Semantic Broker. Users can access both atomic analysis services as well as complex workflow services thanks to a uniform presentation and integration layer provided by the wEMBOSS platform.

Integration of SIMDAT-Pharma technologies into wEMBOSS framework

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Summary

The Federated Portal is based on the wEMBOSS technology. The application challenge is to integrate all relevant information along the drug discovery and drug development process and execute multi-disciplinary modelling of drug action in a way that allows prediction of pharmacological properties of drug candidates. In a Grid-based PSE it will be possible to seamlessly integrate information from protein databases, positively tested drug candidate results, screening process data and molecular information irrespective of the place where the data have been generated. Using SIMDAT Grid technology improvements in the efficiency and the accuracy of the drug design process will be implemented and assessed.

: Architecture of the wEMBOSS-SIMDAT integration

Justification of the prototype

Demonstrate that Grid technology can play an important role for in-silico analysis and annotation
Extend existing Web-based environment with Quality of Service (QoS) measures
Improve the data management with innovative Peer-to-Peer Technology

Results achieved

Integration of IX-odus into commercial workflow technology
Leveraging bioinformatic applications into services managed by Grid technology
Ontology-based service annotation and discovery
Automated update logic for Grid nodes
Advanced security modules for strong encryption

: Algorithm of the new searching process of wEMBOSS

Lessons learned in the project

The Pharma partners developed a Federated Portal on the basis of the wEMBOSS technology. This portal integrated a variety of key SIMDAT technologies like Grid, Workflow, Knowledge, and the Semantic Broker. Users can access both atomic analysis services as well as complex workflow services thanks to a uniform presentation and integration layer provided by the wEMBOSS platform.