Wikiomics:Docking toolbox
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* [[User:Darked|Darek Kedra]] wrote this tutorial | * [[User:Darked|Darek Kedra]] wrote this tutorial | ||
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Revision as of 10:16, 27 February 2008
Following programs are used for docking small molecules into protein pockets/active sites:
Contents |
Commercial
- FlexX (both stand alone and Sybyl/MOE module) Sybyl docking tutorial: [1] $$$
- GOLD $$$
- ICM (docking)$$$
- GLIDE $$$
Free/Semi Free??
!! needs verification as of Nov 2006!!
Ligands databases
- Ligand.Info Small-Molecule Meta-Database
- ZINC a free database of commercially-available compounds for virtual screening
Reviews/Info
- 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 [2]
Credits
- Darek Kedra wrote this tutorial
