BoBER: web interface to the base of bioisosterically exchangeable replacements

Abstract We describe a novel freely available web server Base of Bioisosterically Exchangeable Replacements (BoBER), which implements an interface to a database of bioisosteric and scaffold hopping replacements. Bioisosterism and scaffold hopping are key concepts in drug design and optimization, and...

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Detalhes bibliográficos
Main Authors: Samo Lešnik, Blaž Škrlj, Nika Eržen, Urban Bren, Stanislav Gobec, Janez Konc, Dušanka Janežič
Formato: Artigo
Idioma:Inglês
Publicado em: BMC 2017-12-01
Colecção:Journal of Cheminformatics
Assuntos:
ProBiS
Protein superimposition
Bioisosteres
Scaffold hopping
Ligand fragments
Acesso em linha:http://link.springer.com/article/10.1186/s13321-017-0251-x
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