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SITEHOUND specifications


Unique identifier OMICS_04151
Interface Web user interface
Restrictions to use None
Computer skills Basic
Stability Stable
Maintained Yes

Publication for SITEHOUND

SITEHOUND citations


Computational analysis of the receptor binding specificity of novel influenza A/H7N9 viruses

BMC Genomics
PMCID: 5954268
PMID: 29764421
DOI: 10.1186/s12864-018-4461-z

[…] esults of FluSurver suggested possible significant change of viral binding with small ligands, especially host receptors (Table ). Furthermore, we applied a carbon probe based approach implemented in SITEHOUND to identify putative ligand binding sites []. SITEHOUND calculated an affinity map for the carbon probe and then clustered the points with favorable interaction energies. The cluster with th […]


A genome wide structure based survey of nucleotide binding proteins in M. tuberculosis

Sci Rep
PMCID: 5624866
PMID: 28970579
DOI: 10.1038/s41598-017-12471-8

[…] tb pocketome. For this, all putative small-molecule binding pockets were identified based on a consensus of three different algorithms; PocketDepth (geometry-based), LigSite (evolutionary-based), and SiteHound (energy-based). Thus, a pocket was considered only if it seen identified by all the three different methods, which led to an overall of 13,858 high-confidence pockets,, which was used as the […]


Characterization of Bile Salt Hydrolase from Lactobacillus gasseri FR4 and Demonstration of Its Substrate Specificity and Inhibitory Mechanism Using Molecular Docking Analysis

Front Microbiol
PMCID: 5449720
PMID: 28620369
DOI: 10.3389/fmicb.2017.01004

[…] ized, and images were rendered using UCSF-Chimera software (). Residues involved in substrate binding were identified using the computed atlas of the surface topography of proteins (CASTP) () and the SiteHound-web server (). Then, predicted residues were compared with the templates. These residues were used to predict putative binding sites for ligands during the docking analysis. […]


Pharmacoinformatics, Adaptive Evolution, and Elucidation of Six Novel Compounds for Schizophrenia Treatment by Targeting DAOA (G72) Isoforms

Biomed Res Int
PMCID: 5288522
PMID: 28197415
DOI: 10.1155/2017/5925714

[…] lore, the top six molecules scrutinized from all the 114 compounds screened from all the selected libraries were elucidated. The binding site analyses of DAOA isoforms were also revealed by employing SiteHound and CASTp. It was observed that the binding domains predicted by SiteHound were similar to the pocket revealed in molecular docking analyses and the measurements of binding pockets were also […]


Normal Modes Expose Active Sites in Enzymes

PLoS Comput Biol
PMCID: 5225006
PMID: 28002427
DOI: 10.1371/journal.pcbi.1005293

[…] nfavorable positions. Similarly, THEMATICS [] uses geometric characteristics in combination with theoretical microscopic titration analysis, while the methods of Goodford [] and Rupert et al. [], and SiteHound [] identify ligand binding sites based on analyses of the binding energies of probes placed on a grid around the protein. Another purely geometric method, EnSite, uses the proximity of catal […]


Computational methods in drug discovery

Beilstein J Org Chem
PMCID: 5238551
PMID: 28144341
DOI: 10.3762/bjoc.12.267

[…] eometry-based methods []. In Q-SiteFinder a van der Waals probe is used and the interaction energy between the probe and the protein is found in order to identify binding sites of the protein []. The SiteHound program is another energy-based method that uses two kinds of probes; a carbon probe and a phosphate probe which are used to identify the binding sites for drug-like molecules and phosphoryl […]


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SITEHOUND institution(s)
Department of Structural and Chemical Biology, Mount Sinai School of Medicine, New York, NY, USA


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