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DeepDrug3D: Classification of ligand-binding pockets in proteins with a convolutional neural network

Comprehensive characterization of ligand-binding sites is invaluable to infer molecular functions of hypothetical proteins, trace evolutionary relationships between proteins, engineer enzymes to achieve a desired substrate specificity, and develop drugs with improved selectivity profiles. These rese...

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Detalles Bibliográficos
Autores principales:	Pu, Limeng, Govindaraj, Rajiv Gandhi, Lemoine, Jeffrey Mitchell, Wu, Hsiao-Chun, Brylinski, Michal
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2019
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6375647/ https://www.ncbi.nlm.nih.gov/pubmed/30716081 http://dx.doi.org/10.1371/journal.pcbi.1006718

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