Ligand Binding Prediction Using Protein Structure Graphs and Residual Graph Attention Networks

Computational prediction of ligand–target interactions is a crucial part of modern drug discovery as it helps to bypass high costs and labor demands of in vitro and in vivo screening. As the wealth of bioactivity data accumulates, it provides opportunities for the development of deep learning (DL) m...

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Detalles Bibliográficos
Autores principales: Pandey, Mohit, Radaeva, Mariia, Mslati, Hazem, Garland, Olivia, Fernandez, Michael, Ester, Martin, Cherkasov, Artem
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9416537/
https://www.ncbi.nlm.nih.gov/pubmed/36014351
http://dx.doi.org/10.3390/molecules27165114

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9416537/
https://www.ncbi.nlm.nih.gov/pubmed/36014351
http://dx.doi.org/10.3390/molecules27165114

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