Jan 222015
 

AuPosSOM 2.1

:: DESCRIPTION

AuPosSOM is able to classify ligands docked to a protein according to their contact footprint. This tool is helpful to identify active compounds inside a dataset of molecules.

PreAuposSOM: preparation of AuposSOM input files

::DEVELOPER

AuPosSOM team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / WIndows

:: DOWNLOAD

 AuPosSOM  , PreAuposSOM

:: MORE INFORMATION

Citation

Bioinformatics. 2010 Jan 1;26(1):53-60. doi: 10.1093/bioinformatics/btp623. Epub 2009 Nov 12.
Automatic clustering of docking poses in virtual screening process using self-organizing map.
Bouvier G1, Evrard-Todeschi N, Girault JP, Bertho G.

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