A worldwide e-Infrastructurefor NMR and structural biologyA worldwide e-Infrastructure

for NMR and structural biology

IntroductionStructural 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 DynamicsAMBERGROMACSAntechamber

ProcessingMDD 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).

StatisticsAs of October 2011• Largest VO in Life Sciences• >350 VO registered users• 34 Countries • 29 Sites• >33000 CPU Cores • > 65 TB Storage

WorkflowFormat ConverterCcpNMR Analysis

Analysis TALOS+AnisoFITShiftX2

AssignmentAuto AssignMARSUNIO

Structure CalculationCS-ROSETTACYANAUNIOXplor-NIH

Molecular Modelling3D-DARTHADDOCK

Virtual Community Core Partners How 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

WeN

MR

is a

Euro

pean

Uni

on 7

th F

ram

ewor

k Pr

ogra

m, c

ontra

ct n

umbe

r 261

572