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Development of a graph convolutional neural network model for efficient prediction of protein-ligand binding affinities
Prediction of protein-ligand interactions is a critical step during the initial phase of drug discovery. We propose a novel deep-learning-based prediction model based on a graph convolutional neural network, named GraphBAR, for protein-ligand binding affinity. Graph convolutional neural networks red...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8031450/ https://www.ncbi.nlm.nih.gov/pubmed/33831016 http://dx.doi.org/10.1371/journal.pone.0249404 |