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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...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| 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 |