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MIOSS Rui MV Abreu

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Protein-Ligand Docking<br />

-Tries to predict the binding of a small molecule<br />

(ligand) to a protein structure.<br />

-Structure-Based Drug Design (SBDD) method.<br />

-Protein-ligand Docking can be use to perform<br />

VIRTUAL SCREENING of a large dataset<br />

(library) of potential ligands, in search of lead<br />

compounds.<br />

-Protein-ligand Docking predicts a POSE of the<br />

ligand (binding mode) and a SCORE of binding<br />

affinity representing the binding strength.

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