ScalaLife

Scalable Software Services for Life Science

Coordinatore	KUNGLIGA TEKNISKA HOEGSKOLAN    more  Organization address address: Teknikringen 14, plan 4 city: STOCKHOLM postcode: 10044 contact info Titolo: Ms. Nome: Anette Cognome: Arling Email: send email Telefono: +46 8 790 69 23 Fax: +46 8 247784
Nazionalità Coordinatore	Sweden [SE]
Totale costo	4˙036˙387 €
EC contributo	2˙450˙000 €
Programma	FP7-INFRASTRUCTURES Specific Programme "Capacities": Research infrastructures
Code Call	FP7-INFRASTRUCTURES-2010-2
Funding Scheme	CPCSA
Anno di inizio	2010
Periodo (anno-mese-giorno)	2010-09-01   -   2013-08-31

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	KUNGLIGA TEKNISKA HOEGSKOLAN  Organization address address: Teknikringen 14, plan 4 city: STOCKHOLM postcode: 10044 contact info Titolo: Ms. Nome: Anette Cognome: Arling Email: send email Telefono: +46 8 790 69 23 Fax: +46 8 247784	SE (STOCKHOLM)	coordinator	0.00
2	BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION  Organization address address: Calle Jordi Girona city: BARCELONA postcode: 8034 contact info Titolo: Ms. Nome: Nuria Cognome: Nadal Email: send email Telefono: 34934137716 Fax: 34934137721	ES (BARCELONA)	participant	0.00
3	BAYERISCHE AKADEMIE DER WISSENSCHAFTEN  Organization address address: ALFONS-GOPPEL-STRASSE city: MUENCHEN postcode: 80539 contact info Titolo: Dr. Nome: Victor Cognome: Apostolescu Email: send email Telefono: +49 89 35831 8701 Fax: +49 89 35831 9700	DE (MUENCHEN)	participant	0.00
4	FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA)  Organization address address: Carrer Baldiri Reixac Parc Scientific Barcelona city: BARCELONA postcode: 8028 contact info Titolo: Mr. Nome: Puerto Cognome: Alexandre Email: send email Telefono: 34934039810 Fax: 34934037114	ES (BARCELONA)	participant	0.00
5	Synective Systems AB  Organization address address: Lovekullevagen city: Alingsas postcode: 44144 contact info Titolo: Mr. Nome: Magnus Cognome: Peterson Email: send email Telefono: 46134651042 Fax: 4631802545	SE (Alingsas)	participant	0.00
6	THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD  Organization address address: University Offices, Wellington Square city: OXFORD postcode: OX1 2JD contact info Titolo: Ms. Nome: Linda Cognome: Polik Email: send email Telefono: +44 1865 289800 Fax: +44 1865 289801	UK (OXFORD)	participant	0.00

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 Obiettivo del progetto (Objective)

Life Science is developing into one of the largest e- Infrastructure users in Europe, in part due to the ever-growing amount of biological data. Modern drug design typically includes both sequence bioinformatics, in silico virtual screening, and free energy calculations, e.g. of drug binding. This development will accelerate tremendously, and puts high demands on simulation software and support services. e-Infrastructure projects such as PRACE/DEISA have made important advances on hardware and scalability, but have largely been focused on theoretical scalability for large systems, while typical life science applications rather concern small-to-medium size molecules. Here, we propose to address this with by implementing new techniques for efficient small-system parallelization combined with throughput and ensemble computing to enable the life science community to exploit the largest next-generation e-Infrastructures. We will also build a new cross-disciplinary Competence Network for all of life science, to position Europe as the world-leading community for development and maintenance of this software e-Infrastructure.nSpecifically, we will (1) develop new hierarchical parallelization approaches explicitly based on ensemble and high-throughput computing for new multi-core and streaming/GPU architectures, and establish open software standards for data storage and exchange,n(2) implement, document, and maintain such techniques in pilot European open-source codes such as the widely used GROMACS & DALTON, a new application for ensemble simulation (DISCRETE), and large-scale bioinformatics protein annotation,n(3) create a Competence Centre for scalable life science software to strengthen Europe as a major software provider and to enable the community to exploit e-Infrastructures to their full extent. This Competence Network will provide training and support infrastructure, and establish a long-term framework for maintenance and optimization of life science codes.