IFLPD

Incorporating flexibility into protein-ligand docking

Coordinatore	FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA)    more  Organization address address: CARRER BALDIRI REIXAC 10-12 PARC SCIENTIFIC DE BARCELONA city: BARCELONA postcode: 8028 contact info Titolo: Mr. Nome: Alexandre Cognome: Puerto Email: send email Telefono: +34 93 403 98 10 Fax: +34 93 403 71 14
Nazionalità Coordinatore	Spain [ES]
Totale costo	221˙673 €
EC contributo	221˙673 €
Programma	FP7-PEOPLE Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
Code Call	FP7-PEOPLE-2007-4-1-IOF
Funding Scheme	MC-IOF
Anno di inizio	2009
Periodo (anno-mese-giorno)	2009-11-01   -   2012-10-31

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA)  Organization address address: CARRER BALDIRI REIXAC 10-12 PARC SCIENTIFIC DE BARCELONA city: BARCELONA postcode: 8028 contact info Titolo: Mr. Nome: Alexandre Cognome: Puerto Email: send email Telefono: +34 93 403 98 10 Fax: +34 93 403 71 14	ES (BARCELONA)	coordinator	221˙673.81

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 Obiettivo del progetto (Objective)

'One of the major goals of current drug discovery methods is the correct treatment of the flexibility of the receptor (i.e., protein) in small ligand docking. Computer-aided drug discovery through ligand docking-based virtual screening is already a key component in the lengthy and costly process of developing new drugs not only for academy but also for the pharmaceutical industries. In this proposal, we want to incorporate flexibility considerations into structure based drug discovery by using theoretical methods such as Molecular Dynamics and Normal Mode Analysis. The approach will be a step toward the integration of dynamics in structure-based of drug discovery.'