A worldwide e-Infrastructure for NMR and structural biology

WeNMR goes Asia at the ISGC 2012 Taipei, Taiwan

 

 

The WeNMR project has gone 'Asia' with its presence at the 10th International Symposium on Grids and Clouds 2012 at Academia Sinica, Taipei, Taiwan. The ISGC brings together innovative researchers from the Asia Pacific region and beyond who are both developers and users of grid and cloud computing. The 10th anniversary of the ISGC marks this event as a special one that was reflected with a stunning visual opening ceremony on Tuesday february 28. The ceremony was hosted by Dr Simon Lin one of the driving forces behind grid computing in Taiwan. His presentation nicely shows the power of the Taiwan grid initiative in collaboration with other grid initiatives world wide for research in such relevant topics as earthquake and tsunami research, drug discovery and the avian flu virus.

 

The WeNMR project was mentioned for its relevance to the last two and Life Sciences in general. This was further emphasized by the keynote lecture of Prof. Alexandre Bonvin wednesday 29 february were he talked about the goals of the WeNMR project, the services its has to offer and the importance of the end user for a successful project. 

As a result we had fruitful discussions with local representatives of Academia Sinica and the Taiwanese grid on further collaboration starting with ongoing support for the GROMACS MD web portal. We are going to work together to support a dedicated grid site for long MD simulations. 

 

As WeNMR project we even have our own booth at the symposium venue with posters to show our activities, the WeNMR brochure giving anoverview of the projects goals and a nice movie illustrating the importance of computational structural biology for NMR and Life Sciences in general. 

 

To strengthen our connection with the Asian user base WeNMR hosted a ISGC co-located workshop on monday 27 february. With a group of 24 students we discussed the benefits of joining the WeNMR Virtual Research Community for there research. We gave them a hands-on experience working with the services the project has to offer by having them perform a protein-DNA docking tutorial. In this tutorial we have used the HADDOCK web portal to perform a docking between the two proteins and a DNA structure that together form the bacteriophage 434 Cro/OR1 complex. This complex plays an important role as a switch in the lifecycle of the phage. Using the HADDOCK portal for docking and the 3D-DART server for modeling of the DNA structures the students successfully managed to create models for this complex that illustrated the way the proteins interact with the DNA and how the DNA changes conformation to establish the functional complex.  

 
WeNMR Expert comment

ISGC2012 programme

For those of you interested, the detailed programme of the ISGC2012 conference, giving also access to the various presentations, can be found at:

http://indico3.twgrid.org/indico/conferenceDisplay.py?ovw=True&confId=44

Cite WeNMR

 
Usage of the WeNMR portals should be acknowledged in any publication:
 
"The WeNMR project (European FP7 e-Infrastructure grant, contract no. 261572www.wenmr.eu), supported by the European Grid Initiative (EGI) through the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, South Africa, Malaysia, Taiwan, the Latin America GRID infrastructure via the Gisela project, the International Desktop Grid Federation (IDGF) with its volunteers and the US Open Science Grid (OSG) are acknowledged for the use of web portals, computing and storage facilities. "
 
And the following article describing the WeNMR portals should be cited:
Wassenaar et al. (2012). WeNMR: Structural Biology on the Grid.J. Grid. Comp., 10:743-767.

EGI-approved

The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.

European Union

WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572