Protein-ligand docking

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Protein-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.

Several protein-ligand docking softwares are available, such as Autodock or EADock.

[edit] See also

• Docking (molecular)
• Virtual screening