1. A worldwide e-Infrastructure for NMR and structural biology A worldwide e-Infrastructure for NMR and structural biology Introduction Structural biology and life sciences in general, and NMR in particular, have always been associated with advanced computing. Current challenges in the post- genomic era require easy access to powerful software tools and computational resources. WeNMR provides an e-Infrastructure based global virtual research community (VRC) for structural biology in the life sciences. WeNMR Objectives Develop a sustainable, user-friendly science gateway for the NMR and SAXS communities. Establish a VRC and support adoption of e- Infrastructures by a wide range of anking disceplines within the Life Sciences. Provide support to software developers, users and other e-Infrastructure projects in a knowledge and training centre. Extend the eNMR Grid infrastructure to interoperate with other worldwide Grid initiatives. Science in the cloud Develop a sustainable, user-friendly science gateway for the NMR and SAXS communities. Establish a VRC and support adoption of e- Infrastructures by a wide range of anking disceplines within the Life Sciences. Provide support to software developers, users and other e-Infrastructure projects in a knowledge and training centre. Extend the eNMR Grid infrastructure to interoperate with other worldwide Grid initiatives. Harness the power of the GRID @ http://www.wenmr.eu Molecular Dynamics AMBER GROMACS Antechamber Processing MDD NMR Connecting GRIDs Connect with: Asian, South-African, South- American (GISELA) and North-American GRID initiatives in close contact with existing EC projects (like CHAIN) and EGI and North American Grid initiative (SBGrid). Statistics As of October 2011 Largest VO in Life Sciences >350 VO registered users 34 Countries 29 Sites >33000 CPU Cores > 65 TB Storage Workflow Format Converter CcpNMR Analysis Analysis TALOS+ AnisoFIT ShiftX2 Assignment Auto Assign MARS UNIO Structure Calculation CS-ROSETTA CYANA UNIO Xplor-NIH Molecular Modelling 3D-DART HADDOCK Virtual CommunityCore PartnersHow to benefit? WeNMR is a virtual research platform to serve as a digital knowledge repository, data exchange medium, and forum for (interaction with) the user community. It aims to strengthen the interdisciplinary interaction the between NMR, SAXS and e-Science communities and extend them to a wider range of disciplines in the life sciences. BCBR Utrecht, The Netherlands, Project Coordinator BMRZ Frankfurt am Main, Germany CIRMMP Florence, Italy INFN Padova, Italy RUN Nijmegen, The Netherlands UCAM Cambridge, United Kingdom EMBL Hamburg, Germany SpronkNMR Vilnius, Lithuania Sign up for a free account at the WeNMR Virtual Research Community and bene t from: A portal to exchage ideas, read documentation, follow tutorials, request support and contribute to various forums To perform calculations on the GRID using the web- based applications you must request a GRID certificate For more information visit: www.wenmr.eu WeNMR is a European Union 7th Framework Program, contract number 261572