Open Access
Protein-ligand docking
Giovanni Bottegoni1
Department of Drug Discovery and Development, Istituto Italiano di Tecnologia, via Morego n.30 Genova, 16163, Italy.
DOI: 10.2741/3854 Volume 16 Issue 6, pp.2289-2306
Published: 01 June 2011
(This article belongs to the Special Issue Computational medicinal chemistry and drug design)

Ligand-docking is an established computational technique universally applied in structure-based drug design. Since the first attempts carried out in the early '80s to predict the three-dimensional conformation of a protein-ligand bound complex, this methodology has evolved constantly and it is presently implemented in many different ways. The present study aims at explaining the standard protein-ligand docking protocol, together with its main advantages and drawbacks. Milestone reports and future directions are reported and discussed as well.

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Giovanni Bottegoni. Protein-ligand docking. Frontiers in Bioscience-Landmark. 2011. 16(6); 2289-2306.