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Binding affinity prediction for protein–ligand complex using deep attention mechanism based on intermolecular interactions
BACKGROUND: Accurate prediction of protein–ligand binding affinity is important for lowering the overall cost of drug discovery in structure-based drug design. For accurate predictions, many classical scoring functions and machine learning-based methods have been developed. However, these techniques...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BioMed Central
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8576937/ https://www.ncbi.nlm.nih.gov/pubmed/34749664 http://dx.doi.org/10.1186/s12859-021-04466-0 |