sc-PDB-Frag specifications


Unique identifier OMICS_23117
Name sc-PDB-Frag
Restrictions to use None
Database management system MySQL
Community driven No
Data access File download, Browse
User data submission Not allowed
Maintained Yes


  • person_outline Didier Rognan

Publication for sc-PDB-Frag

sc-PDB-Frag citation


BoBER: web interface to the base of bioisosterically exchangeable replacements

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

[…] fragments which enables finding bioisosteric replacements based on a subgraph matching tool that identifies similar binding pockets according to their 3D structures and chemical composition. Further, sc-PDB-Frag [] is an approach that considers bioisosteric searches with no a priori knowledge of either ligand (fragment) or protein (binding site) similarities. This can be achieved by converting pro […]

sc-PDB-Frag institution(s)
Laboratory for Therapeutical Innovation, UMR 7200 Université de Strasbourg/CNRS, MEDALIS Drug Discovery Center, Illkirch, France
sc-PDB-Frag funding source(s)
Supported by the Institut de Recherches Servier.

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