Wikiomics:Docking toolbox

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Following programs are used for docking small molecules into protein pockets/active sites:

Comercial

  • FlexX [1] (both stand alone and Sybyl/MOE module) Sybyl docking tutorial: [2] $$$
  • GOLD [3] $$$
  • ICM (docking) [4] $$$
  • GLIDE [5] $$$

Free/Semi Free??

!! needs verification as of Nov 2006!!

Reviews

  • Sperandio O, Miteva MA, Delfaud F, Villoutreix Receptor-based computational screening of compound databases: the main docking-scoring engines.Curr Protein Pept Sci. 2006 Oct;7(5):369-93.
  • Muegge, M Rarey - mall molecule docking and scoring Reviews in Computational Chemistry, Dec 2001 [9]
  • very good review by Aatu Kaapro Janne Ojanen from 2002: [10]
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