A worldwide e-Infrastructure for NMR and structural biology

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WeNMR workshop@ISCG2013 in Taiwan

WeNMR workshop on structure determination biomolecular complexes

WeNMR is organizing a three days workshop at the occasion of the International Symposium on Grid and Clouds  that will take place at the Academia Sinica in Taiwan.

Date: Monday, 18 – Wednesday, 20 March 2013
Venue: 3F, Building for Humanities and Social Science, Academia Sinica

The workshop will provide a general introduction to grid computing and the WeNMR services currently available through the WeNMR virtual research community portal (www.wenmr.eu), and then focus on several topics, including automated NMR data assignment and structure calculation using UNIO/Xplor-NIH, SAXS for biomolecular complexes, structure refinements and in silico docking for protein-small molecule and protein-protein systems. Participants will have the opportunity to know more about the theories behind experimental and computational structural biology and gain experience in the use of the software packages through a guided hands-on tutorials.

Participants are asked to bring a laptop with wireless access and leave at least 10 GB space on the hard drive.

Instructors (in alphabetic order)

  • Alexandre Bonvin (Bijvoet Center for Biomolecular Research, Utrecht University, Netherlands)
  • Shang-Te Danny Hsu (Institute of Biological Chemistry, Academia Sinica, Taiwan)
  • Al Kikhney (Biological small angle scattering group, EMBL Hamburg, Germany)
  • Joao Rodrigues (Bijvoet Center for Biomolecular Research, Utrecht University, Netherlands)
  • Antonio Rosato (Center of Magnetic Resonance, University of Florence, Italy)
  • Hsi-Kai Wang (Academia Sinica Grid Computing, Academia Sinica, Taiwan)



Day 1 (Monday, 18 March)

Time Program
09:00 ~ 09:30 Registration
09:30 ~ 10:30

Presentation of WeNMR

10:30 ~ 11:00 Coffee break
11:00 ~ 13:00 SAXS
13:00 ~ 14:00 Lunch
14:00 ~ 17:30 SAXS (including lecture about SAXS for complexes and tutorials)

Day 2 (Tuesday, 19 March)

Time Program
09:00 ~ 11:00 ISCG opening session
11:00 ~ 12:00 Presentation of the WeNMR structure calculations/refinement tools – CASD-NMR
12:00 ~ 13:00 First tutorial on UNIO / Xplor-NIH
13:00 ~ 14:00 Lunch
14:00 ~ 14:30 Structure refinement and validation
14:30 ~ 15:30 Tutorial on AMBER refinement + structure validation
15:30 ~ 16:00 Coffee break
16:00 ~ 16:30 MAXOCC lecture
16:30 ~ 17:30 MAXOCC tutorial

Day 3 (Wednesday, 20 March)

Time Program
09:00 ~ 10:30 AUTODOCK server introduction and tutorial
10:30 ~ 11:00 Coffee break
11:00 ~ 12:30 Lecture on HADDOCK
12:30 ~ 14:00 Lunch
14:00 ~ 17:30 HADDOCK tutorial


Any questions regarding to the detailed program, please contact:
Danny Hsu (sthsu@gate.sinica.edu.tw)

Cite WeNMR/WestLife

Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
"The FP7 WeNMR (project# 261572), H2020 West-Life (project# 675858) and the EOSC-hub (project# 777536) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid."
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.


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

WestLife, the follow up project of WeNMR is a Virtual Research Environment e-Infrastructure project funded under Horizon 2020. Contract no. 675858