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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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Bibliografski detalji
Izdano u:PLoS Comput Biol
Glavni autori: Pu, Limeng, Govindaraj, Rajiv Gandhi, Lemoine, Jeffrey Mitchell, Wu, Hsiao-Chun, Brylinski, Michal
Format: Artigo
Jezik:Inglês
Izdano: Public Library of Science 2019
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6375647/
https://ncbi.nlm.nih.gov/pubmed/30716081
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1006718
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