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eMatchSite specifications

Information


Unique identifier OMICS_10538
Name eMatchSite
Software type Package/Module
Interface Command line interface
Restrictions to use None
Input data two protein structures
Input format PDB
Output data A single file that containing: numerical scores for the constructed alignment of binding sites, aligned residue pairs with the corresponding Cα-Cα distances, transformation matrices to superpose the second protein onto the first protein, and the coordinates of the second protein upon the superposition of two binding sites.
Output format PDB
Operating system Unix/Linux
Programming languages C++
License GNU General Public License version 2.0
Computer skills Advanced
Stability No
Requirements
zlib, gzstream, libsvm
Maintained No

Versioning


Add your version

Maintainer


This tool is not available anymore.

Additional information


http://brylinski.cct.lsu.edu/content/ematchsite-manual

Information


Unique identifier OMICS_10538
Name eMatchSite
Interface Web user interface
Restrictions to use None
Input data two protein structures
Input format PDB
Output data A single file that containing: numerical scores for the constructed alignment of binding sites, aligned residue pairs with the corresponding Cα-Cα distances, transformation matrices to superpose the second protein onto the first protein, and the coordinates of the second protein upon the superposition of two binding sites.
Output format PDB
Programming languages C++
Computer skills Basic
Stability No
Maintained No

Maintainer


This tool is not available anymore.

Additional information


http://brylinski.cct.lsu.edu/content/ematchsite-manual

Publications for eMatchSite

eMatchSite in publication

PMCID: 5847522
PMID: 29560273
DOI: 10.1038/s41540-018-0050-7

[…] is among the most promising computational techniques to inform drug repositioning. in order to find new targets for known drugs ultimately leading to drug repositioning, we recently developed ematchsite, a new computer program to compare drug-binding sites. in this study, ematchsite is combined with virtual screening to systematically explore opportunities to reposition known drugs […]


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eMatchSite institution(s)
Department of Biological Sciences, Louisiana State University, Baton Rouge, LA, USA
eMatchSite funding source(s)
Supported by the National Institute of General Medical Sciences of the National Institutes of Health under Award Number R35GM119524.

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