IMR Press / FBL / Volume 16 / Issue 6 / DOI: 10.2741/3854

Frontiers in Bioscience-Landmark (FBL) is published by IMR Press from Volume 26 Issue 5 (2021). Previous articles were published by another publisher on a subscription basis, and they are hosted by IMR Press on as a courtesy and upon agreement with Frontiers in Bioscience.

Open Access Article
Protein-ligand docking
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1 Department of Drug Discovery and Development, Istituto Italiano di Tecnologia, via Morego n.30 Genova, 16163, Italy

Academic Editor: Andrea Cavalli

Front. Biosci. (Landmark Ed) 2011, 16(6), 2289–2306;
Published: 1 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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