Abstract
SiteHound uses Molecular Interaction Fields (MIFs) produced by EasyMIFs to identify protein structure regions that show a high propensity for interaction with ligands. The type of binding site identified depends on the probe atom used in the MIF calculation. The input to EasyMIFs is a PDB file of a protein structure; the output MIF serves as input to SiteHound, which in turn produces a list of putative binding sites. Extensive testing of SiteHound for the detection of binding sites for drug-like molecules and phosphorylated ligands has been carried out.
| Original language | English (US) |
|---|---|
| Article number | btp562 |
| Pages (from-to) | 3185-3186 |
| Number of pages | 2 |
| Journal | Bioinformatics |
| Volume | 25 |
| Issue number | 23 |
| DOIs | |
| State | Published - Sep 29 2009 |
ASJC Scopus subject areas
- Statistics and Probability
- Biochemistry
- Molecular Biology
- Computer Science Applications
- Computational Theory and Mathematics
- Computational Mathematics
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Cite this
Ghersi, D., & Sanchez, R. (2009). EasyMIFs and SiteHound: A toolkit for the identification of ligand-binding sites in protein structures. Bioinformatics, 25(23), 3185-3186. [btp562]. https://doi.org/10.1093/bioinformatics/btp562