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Content archived on 2024-06-18

Incorporating flexibility into protein-ligand docking

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.

Fields of science (EuroSciVoc)

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Keywords

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Topic(s)

Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.

Call for proposal

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FP7-PEOPLE-2007-4-1-IOF
See other projects for this call

Funding Scheme

Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.

MC-IOF - International Outgoing Fellowships (IOF)

Coordinator

FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA)
EU contribution
€ 221 673,82
Address
CARRER BALDIRI REIXAC 10-12 PARC SCIENTIFIC DE BARCELONA
08028 Barcelona
Spain

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Region
Este Cataluña Barcelona
Activity type
Research Organisations
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Total cost

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