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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...
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| Publicado no: | PLoS One |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Public Library of Science
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8031450/ https://ncbi.nlm.nih.gov/pubmed/33831016 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0249404 |
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