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InterLig: improved ligand-based virtual screening using topologically independent structural alignments

MOTIVATION: In the past few years, drug discovery processes have been relying more and more on computational methods to sift out the most promising molecules before time and resources are spent to test them in experimental settings. Whenever the protein target of a given disease is not known, it bec...

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Detalles Bibliográficos
Autores principales: Mirabello, Claudio, Wallner, Björn
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7214017/
https://www.ncbi.nlm.nih.gov/pubmed/32049311
http://dx.doi.org/10.1093/bioinformatics/btaa089