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Protein-ligand dockingProtein-ligand docking is a molecular modelling technique. The goal of protein-ligand docking is to predict the position and orientation of a ligand (a small molecule) when it is bound to a protein receptor or enzyme. Pharmaceutical research employs docking techniques for a variety of purposes, most notably in the virtual screening of large databases of available chemicals in order to select likely drug candidates. Additional recommended knowledgeSee also
Categories: Molecular modelling | Computational chemistry | Cheminformatics |
This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "Protein-ligand_docking". A list of authors is available in Wikipedia. |