| Vol-819 urn:nbn:de:0074-819-5 Copyright © 2011 for the individual papers by the papers' authors. Copying permitted only for private and academic purposes. This volume is published and copyrighted by its editors.

# IWSG-Life 2011
Science Gateways for Life Sciences 2011

### Proceedings of the 3rd International Workshop on Science Gateways for Life Sciences

### London, United Kingdom, June 8-10, 2011.

Edited by

### Gabor Terstyanszky *
Tamas Kiss *

* University of Westminster, Center for Parallel Computing, London, UK

## Table of Contents

- Preface
- Organisation

### Regular papers

1. The DECIDE Science Gateway
   V. Ardizzone, R. Barbera, A. Calanducci, M. Fargetta, G. La Rocca, S. Monforte, F. Pistagna, R. Rotondo, D. Scardaci
2. The HUBzero Platform: Extensions and Impressions
   Anna Alber, Jarek Nabrzyski, Timothy Wright
3. Modern Portal Tools And Solutions with Vine Toolkit for Science Gateways
   Piotr Dziubecki, Piotr Grabowski, Michał Krysiński, Tomasz Kuczyński, Krzysztof Kurowski, Dawid Szejnfeld
4. WeNMR: Structural Biology on the Grid
   Tsjerk A. Wassenaar, Marc van Dijk, Nuno Loureiro-Ferreira, Gijs van der Schot, Sjoerd J. de Vries, Christophe Schmitz, Johan van der Zwan, Rolf Boelens, Andrea Giachetti, Lucio Ferella, Antonio Rosato, Ivano Bertini, Torsten Herrmann, Hendrik R. A. Jonker, Anurag Bagaria, Victor Jaravine, Peter Güntert, Harald Schwalbe, Wim F. Vranken, Jurgen F. Doreleijers, Gert Vriend, Geerten W. Vuister, Daniel Franke, Alexey Kikhney, Dmitri I. Svergun, Rasmus Fogh, John Ionides, Ernest D. Laue, Chris Spronk, Marco Verlato, Simone Badoer, Stefano Dal Pra, Mirco Mazzucato, Eric Frizziero, Alexandre M.J.J. Bonvin
5. A Comparative Study of Different Optimization Algorithms for Molecular Docking
   Alexander Afanasiev, Igor Oferkin, Mikhail Posypkin, Anton Rubtsov, Alexey Sulimov, Vladimir Sulimov
6. Benchmarking the POEM@HOME Network for Protein Structure Prediction
   Timo Strunk, Priya Anand, Martin Brieg, Moritz Wolf, Konstantin Klenin, Irene Meliciani, Frank Tristram, Ivan Kondov, Wolfgang Wenzel
7. Low Latencies as Conditione sine qua non for Interactive Data Exploration and Timely Collaboration
   Hajo N. Krabbenhöft, Steffen Möller
8. Granular Security for a Science Gateway in Structural Bioinformatics
   Sandra Gesing, Richard Grunzke, Ákos Balaskó, Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Gregor Fels, Sonja Herres-Pawlis, Peter Kacsuk, Miklos Kozlovszky, Jens Krüger, Lars Packschies, Patrick Schäfer, Bernd Schuller, Johannes Schuster, Thomas Steinke, Anna Szikszay Fabri, Martin Wewior, Ralph Müller-Pfefferkorn, Oliver Kohlbacher
9. A Pipeline Pilot based SOAP implementation of FlexScreen for High-Throughput Virtual Screening
   Horacio Pérez-Sánchez, Ivan Kondov, José M. García, Konstantin Klenin, Wolfgang Wenzel

19-Dec-2011: submitted by Tamas Kiss, Noam Weingarten
19-Dec-2011: published on CEUR-WS.org