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Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria

The first challenge in the 2014 competition launched by the Teach-Discover-Treat (TDT) initiative asked for the development of a tutorial for ligand-based virtual screening, based on data from a primary phenotypic high-throughput screen (HTS) against malaria. The resulting Workflows were applied to...

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Detalles Bibliográficos
Autores principales: Riniker, Sereina, Landrum, Gregory A., Montanari, Floriane, Villalba, Santiago D., Maier, Julie, Jansen, Johanna M., Walters, W. Patrick, Shelat, Anang A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: F1000 Research Limited 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5580409/
https://www.ncbi.nlm.nih.gov/pubmed/28928948
http://dx.doi.org/10.12688/f1000research.11905.2