A Worldwide e-Infrastucture for NMR and structural biology A Worldwide e-Infrastucture for NMR and structural biology Project Coordinator:Prof. Alexandre M.J.J. Bonvin, Utrecht University, [email protected]
Contract n°: RI-261572Project type: CP-CSADuration: 36 monthsTotal budget: 2’434’000 €EC Funding: 2’150’000 €
Utrecht University, Bijvoet Center for Biomolecular Research, NLJohann Wolfgang Goethe Universität Frankfurt a.M., Center for Biomolecular Magnetic Resonance DEUniversity of Florence, Magnetic Resonance Center, ITIstituto Nazionale di Fisica Nucleare , Padova, ITRaboud University, Nijmegen, NLUniversity of Cambridge UKEuropean Molecular Biology Laboratory, Hamburg, DESpronk NMR Consultancy, LT
The team
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assign ( resid 501 and name OO ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y )
( resid 2 and name CA ) -0.1400 0.15000
assign ( resid 501 and name OO ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y )
( resid 3 and name CA ) -0.0100 0.15000
Datainterpretation
Structure, dynamics & interactionsStructure, dynamics & interactions impact on research and health:impact on research and health:
- origin of diseaseorigin of disease- design of new experiments- design of new experiments
- drug design- drug design……
Exploiting GRID resources in structural biology…Exploiting GRID resources in structural biology…
Computations
NMR data collection and processing SAXS data analysis
• Operate and further develop a user-friendly e-Science gateway for the NMR and SAXS communities
• Establish a virtual research platform for (interaction with) the user community
• Provide support to software developers, users and other e-Infrastructure projects
• Foster the adoption and use of e-Infrastructure in a wide range of flanking disciplines within the life sciences
• Operate and consolidate the eNMR Grid infrastructure and to extend it to interoperate with other worldwide Grid initiatives
• Develop a model to ensure sustainability of the project
Main objectivesMain objectivesMain objectivesMain objectives
Builds upon the eNMR projectBuilds upon the eNMR project“Deploying and unifying the NMR e-Infrastructure in System Biology”
haddock.chem.uu.nl/enmr/eNMR-portal.html
e-NMR allows researchers to enjoy all of the benef"its of bio-NMR with only
minimal efforts for the set-up of data analysis & calculations.
Johann Wolfgang Goethe Universität Frankfurt a.M., Germany, Center for Biomolecular Magnetic Resonance
University of Florence, Magnetic Resonance Center , Italy. Subcontractor: Spronk NMR, Vilnius, Lithuania
Utrecht University, The Netherlands- Bijvoet Center for Biomolecular Research. Subcontractor: CNRS Lyon
European Bioinformatics Institute, Hinxton, UK
Istituto Nazionale di Fisica Nucleare , Padova, Italy
The e-NMR web portal is accessible through the web and exploits GRID technology to provide users with high computational capacity and a secure protocol for access
The team:
www.e-nmr.eu
eNMR platform operational and well used!eNMR platform operational and well used!
• 2nd largest VO in the life sciences• Over 230 registered users and growing• >16000 CPUs• >350 CPU years over the last 12 months• 20% of Life Sciences on the Grid• User-friendly access to e-Infrastructure via web portals
www.enmr.eu
Objectives
The future… a global virtual research community
The future… a global virtual research community
wordle.net
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