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FGDB: a comprehensive graph database of ligand fragments from the Protein Data Bank

This work presents Fragment Graph DataBase (FGDB), a graph database of ligand fragments extracted and generated from the protein entries available in the Protein Data Bank (PDB). FGDB is meant to support and elicit campaigns of fragment-based drug design, by enabling users to query it in order to co...

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Detalles Bibliográficos
Autores principales:	Toti, Daniele, Macari, Gabriele, Barbierato, Enrico, Polticelli, Fabio
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Oxford University Press 2022
Materias:	Original Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9239314/ https://www.ncbi.nlm.nih.gov/pubmed/35763362 http://dx.doi.org/10.1093/database/baac044

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