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.
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::DEVELOPER
:: SCREENSHOTS
N/A
:: REQUIREMENTS
- Linux / WIndows
:: DOWNLOAD
:: 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.