Universität zu Köln

Gesing, Sandra, Grunzke, Richard, Krueger, Jens, Birkenheuer, Georg, Wewior, Martin, Schaefer, Patrick, Schuller, Bernd, Schuster, Johannes, Herres-Pawlis, Sonja ORCID: 0000-0002-4354-4353, Breuers, Sebastian, Balasko, Akos, Kozlovszky, Miklos ORCID: 0000-0001-8096-9628, Fabri, Anna Szikszay, Packschies, Lars, Kacsuk, Peter, Blunk, Dirk ORCID: 0000-0001-6365-0404, Steinke, Thomas, Brinkmann, Andre ORCID: 0000-0003-3083-2775, Fels, Gregor, Mueller-Pfefferkorn, Ralph, Jaekel, Rene and Kohlbacher, Oliver ORCID: 0000-0003-1739-4598 (2012). A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics. J. Comput., 10 (4). S. 769 - 791. DORDRECHT: SPRINGER. ISSN 1572-9184

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Abstract

Structural bioinformatics applies computational methods to analyze and model three-dimensional molecular structures. There is a huge number of applications available to work with structural data on large scale. Using these tools on distributed computing infrastructures (DCIs), however, is often complicated due to a lack of suitable interfaces. The MoSGrid (Molecular Simulation Grid) science gateway provides an intuitive user interface to several widely-used applications for structural bioinformatics, molecular modeling, and quantum chemistry. It ensures the confidentiality, integrity, and availability of data via a granular security concept, which covers all layers of the infrastructure. The security concept applies SAML (Security Assertion Markup Language) and allows trust delegation from the user interface layer across the high-level middleware layer and the Grid middleware layer down to the HPC facilities. SAML assertions had to be integrated into the MoSGrid infrastructure in several places: the workflow-enabled Grid portal WS-PGRADE (Web Services Parallel Grid Runtime and Developer Environment), the gUSE (Grid User Support Environment) DCI services, and the cloud file system XtreemFS. The presented security infrastructure allows a single sign-on process to all involved DCI components and, therefore, lowers the hurdle for users to utilize large HPC infrastructures for structural bioinformatics.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Gesing, Sandra UNSPECIFIED UNSPECIFIED UNSPECIFIED Grunzke, Richard UNSPECIFIED UNSPECIFIED UNSPECIFIED Krueger, Jens UNSPECIFIED UNSPECIFIED UNSPECIFIED Birkenheuer, Georg UNSPECIFIED UNSPECIFIED UNSPECIFIED Wewior, Martin UNSPECIFIED UNSPECIFIED UNSPECIFIED Schaefer, Patrick UNSPECIFIED UNSPECIFIED UNSPECIFIED Schuller, Bernd UNSPECIFIED UNSPECIFIED UNSPECIFIED Schuster, Johannes UNSPECIFIED UNSPECIFIED UNSPECIFIED Herres-Pawlis, Sonja UNSPECIFIED orcid.org/0000-0002-4354-4353 UNSPECIFIED Breuers, Sebastian UNSPECIFIED UNSPECIFIED UNSPECIFIED Balasko, Akos UNSPECIFIED UNSPECIFIED UNSPECIFIED Kozlovszky, Miklos UNSPECIFIED orcid.org/0000-0001-8096-9628 UNSPECIFIED Fabri, Anna Szikszay UNSPECIFIED UNSPECIFIED UNSPECIFIED Packschies, Lars UNSPECIFIED UNSPECIFIED UNSPECIFIED Kacsuk, Peter UNSPECIFIED UNSPECIFIED UNSPECIFIED Blunk, Dirk UNSPECIFIED orcid.org/0000-0001-6365-0404 UNSPECIFIED Steinke, Thomas UNSPECIFIED UNSPECIFIED UNSPECIFIED Brinkmann, Andre UNSPECIFIED orcid.org/0000-0003-3083-2775 UNSPECIFIED Fels, Gregor UNSPECIFIED UNSPECIFIED UNSPECIFIED Mueller-Pfefferkorn, Ralph UNSPECIFIED UNSPECIFIED UNSPECIFIED Jaekel, Rene UNSPECIFIED UNSPECIFIED UNSPECIFIED Kohlbacher, Oliver UNSPECIFIED orcid.org/0000-0003-1739-4598 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-477210
DOI:	10.1007/s10723-012-9247-y
Journal or Publication Title:	J. Comput.
Volume:	10
Number:	4
Page Range:	S. 769 - 791
Date:	2012
Publisher:	SPRINGER
Place of Publication:	DORDRECHT
ISSN:	1572-9184
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language WORLD-WIDE-WEB; CHEMICAL MARKUP; XML Multiple languages Computer Science, Information Systems; Computer Science, Theory & Methods Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/47721