CORDIS Project
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This project aims to improve drug discovery by incorporating receptor flexibility into virtual screening processes. By utilizing theoretical approaches like Molecular Dynamics, it seeks to enhance the accuracy of ligand docking, ultimately streamlining the development of new pharmaceuticals.
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 th…
FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA)
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