RDI2 Seminar: "Web-Based Science Gateways for Structural Bioinformatics"

Sandra Gesing, Senior consultant and PhD Student in the Applied Bioinformatics Group, The University of Tübingen
Date: Friday, September 28th from 3:00 - 4:30pm
Location: CoRE 701


Structural bioinformatics is concerned with computational methods to gain new insight into molecular structures, their prediction, and the analysis of their functions. Nowadays, these computational methods are invaluable tools in numerous applications like materials science, structural biology, and drug design. DCIs (Distributed Computing Infrastructures) allow gathering information about increasingly complex chemical structures via available sophisticated tools and methods. Web-based science gateways support users to access tools for a specific application domain via a web browser. The overall goal for creating science gateways is to increase the usability of tools and to hide the complexity of the underlying infrastructure. In the project MoSGrid (Molecular Simulation Grid) a complete solution for the structural bioinformatics community has been developed which aids end users and developers to use tools and workflows in DCIs.

The talk goes into detail for the role-based user management concerted for the structural bioinformatics community, the credential management facilitating SAML (Security Assertion Markup Language), a tool for job and workflow management allowing workflow interoperability, and an extended framework for the migration of workflows supporting the re-usability of workflows for different DCIs.

About Sandra Gesing:

Sandra Gesing is currently a senior consultant and a PhD Student in the Applied Bioinformatics Group at the University of Tübingen. She graduated in computer science via extramural studies at the FernUniversität Hagen in 2005 and has perennial experience as a project manager and system developer in industry. As head of a system programmer group, she has led long-term software projects (e.g. infrastructure for web-based applications). As research associate in the area of bioinformatics and grid computing at the University of Tübingen, she has led the work package “Portals” in the project MoSGrid. Her research areas include science gateways for bioinformatic applications, grid and cloud computing, parallel programming, and GPU programming. She is the author of over 20 scientific papers and has edited a couple of proceedings. Additionally, she has set up and is guiding the workshop series IWSG-Life (International Workshop on Science Gateways for Life Sciences).