1. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu The e-NMR project: deploying and unifying the NMR e-Infrastructure in System Biology October 2009 Marco Verlato

2. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu 2 Deploying and unifying the NMR e- Infrastructure in System Biology An e-infrastructure funded by the European Commission Project type: I3 Duration: 3 years End date: October 31 st, 2010 Total budget: 2.766.650 Funding from the EC: 2.050.000 Total funded effort: 27 person-years Related EC-funded projects: EU-NMR, NMR-Life

3. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu 3 Coordinator: Harald Schwalbe, University of Frankfurt Johann Wolfgang Goethe Universität Frankfurt am Main, Germany Center for Biomolecular Magnetic Resonance (BMRZ) University of Florence, Italy Magnetic Resonance Center (CERM) Subcontractor: Spronk NMR Consultancy, Vilnius, Lithuania Utrecht University, The Netherlands Bijvoet Center for Biomolecular Research European Bioinformatics Institute, Hinxton, UK Istituto Nazionale di Fisica Nucleare, Italy Project Participants

4. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu 4 Objectives Deploy and support an interoperable Grid infrastructure at the three NMR infrastructures to be later integrated with EGEE Assess the state-of-the-art in computational bio-NMR and promote knowledge and spreading of best computational practices Identify and promote a sustainable NMR technical framework for e-Science Develop an integrated e-NMR computational platform

5. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu Structural Biology on the GRID Function and Mechanism of Action Design of Experiments Understand Effects of Mutations Drug Design 5

6. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu NMR: Nuclear Magnetic Resonance 6

7. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu NMR data processing Many programs Expertise required Demanding in terms of CPU and data storage

8. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu From GRID application to Web service GRID User Interface Server

9. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu e-NMR portal security 9

10. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu 10 http://gridice-enmr.cerm.unifi.it/site/site.php e-NMR gridICE snapshot

11. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu 11 > 370k jobs > 109 NWT.years Accounting

12. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu 12 INFN activities in e-NMR INFN is responsible of the Work Package 2, which aims to: –deploy at the 3 NMR sites the gLite grid services –establish the e-NMR Grid Operation Centre (GOC) for management, control and support of the infrastructure –certify and integrate in e-NMR the newly developed JRA-WP3 components 2 FTEs funded (3,65 persons) + myself unfunded: S.Dalpra (Jun08-Apr10) + E.Frizziero +65%*S.Traldi (May08-Apr10) + P.Solagna (Oct08-Apr10) + M.Verlato (uf) 5 deliverables under INFN responsibility before end of the project: –D2.4: Report on e-NMR towards integration with EGEE– PM27 (Jan10) –D3.7: Updated RFE of gLite to support bio-NMR applications– PM30 (Apr10) –D2.6: 2 nd Assessment of e-NMR infrastructure and GOC report – PM33 (Jul09) –D2.7: New components integration and deployment updated report – PM36 (Oct10) –D2.5: Final report on e-NMR grid – PM36 (Oct10)

13. e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme www.e-nmr.eu 13 Plans for 2010 Operations: –To support e-NMR extension to South African Grid Application support/gridification –To implement a user friendly web interface for Data Management (e.g. DMS Web Manager) –To implement data encryption (e.g. gLite EDS) From 1/11/2010 possible extension to WeNMR (INFRA-2010-1.2.3-Virtual Research Communities – to be submitted by 24/11/2009) Requests for 2010: –Missioni Interne: 2 k per workshop e annual meeting nel I e II sem. –Missioni Estere: 2.5 k per partecipazione EGEE UF'10 nel I sem. 8k per developers meeting, Evento EGI'10 e Final Review nel II sem. 2k di consumo per allestimento stand di progetto agli eventi EGEE UF'10 e EGI'10. Total = 14,5 k