FragVLib specifications

Information


Unique identifier OMICS_26002
Name FragVLib
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages C++
License GNU General Public License version 3.0
Computer skills Advanced
Stability Stable
Maintained Yes

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Versioning


No version available

Maintainers


  • person_outline Raed Khashan
  • person_outline Raed Khashan

Publication for FragVLib

FragVLib citation

library_books

BoBER: web interface to the base of bioisosterically exchangeable replacements

2017
J Cheminform
PMCID: 5727005
PMID: 29234984
DOI: 10.1186/s13321-017-0251-x

[…] identification of bioisosteric replacements for ligand substructures based on local binding site similarities independently from the protein sequence or overall protein folding. Khashan [] developed FragVLib, a virtual library of fragments which enables finding bioisosteric replacements based on a subgraph matching tool that identifies similar binding pockets according to their 3D structures and […]

FragVLib institution(s)
Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa, Saudi Arabia

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