Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization

BACKGROUND: Structure-based virtual screening techniques can help to identify new lead structures and complement other screening approaches in drug discovery. Prior to docking, the data (protein crystal structures and ligands) should be prepared with great attention to molecular and chemical details...

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Detalles Bibliográficos
Autores principales: Ibrahim, Tamer M, Bauer, Matthias R, Boeckler, Frank M
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4450982/
https://www.ncbi.nlm.nih.gov/pubmed/26034510
http://dx.doi.org/10.1186/s13321-015-0074-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4450982/
https://www.ncbi.nlm.nih.gov/pubmed/26034510
http://dx.doi.org/10.1186/s13321-015-0074-6

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