3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs

Accurate prediction of the drug-target affinity (DTA) in silico is of critical importance for modern drug discovery. Computational methods of DTA prediction, applied in the early stages of drug development, are able to speed it up and cut its cost significantly. A wide range of approaches based on m...

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Detalles Bibliográficos
Autores principales: Voitsitskyi, Taras, Stratiichuk, Roman, Koleiev, Ihor, Popryho, Leonid, Ostrovsky, Zakhar, Henitsoi, Pavlo, Khropachov, Ivan, Vozniak, Volodymyr, Zhytar, Roman, Nechepurenko, Diana, Yesylevskyy, Semen, Nafiiev, Alan, Starosyla, Serhii
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10065141/
https://www.ncbi.nlm.nih.gov/pubmed/37006369
http://dx.doi.org/10.1039/d3ra00281k

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