Identifying and Characterizing Binding Sites and Assessing Druggability

By T. Halgren. Journal of Chemical Information and Modeling, 2009

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The FTMap family of web servers for determining and characterizing ligand binding hot spots of proteins (2015, methodology): “Q-SiteFinder and SITEHOUND both use a methyl probe, whereas SiteMap uses a water molecule as the probe.”
Role of computer-aided drug design in modern drug discovery (2015, neutral): “2006), LIGSITEcsc (Huang and Schroeder 2006), SiteMap (Halgren 2009), FPocket (Le Guilloux et al.”
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment (2012, neutral): “Although methods for fully automatic structure-based druggability predictions such as SiteMap (Halgren, 2009), Fpocket (Schmidtke and Barril, 2010) and DLID (Sheridan et al., 2010) exist, none of these methods is available online for predictions on new targets.”
A practical guide to large-scale docking (2021, methodology): “If there is no available holo structure, tools such as SphGen 34 , SiteMap 35 and FTMap 36 can be used to identify potential ligand binding sites.”