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Decoding the protein–ligand interactions using parallel graph neural networks

Protein–ligand interactions (PLIs) are essential for biochemical functionality and their identification is crucial for estimating biophysical properties for rational therapeutic design. Currently, experimental characterization of these properties is the most accurate method, however, this is very ti...

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Detalles Bibliográficos
Autores principales:	Knutson, Carter, Bontha, Mridula, Bilbrey, Jenna A., Kumar, Neeraj
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9086424/ https://www.ncbi.nlm.nih.gov/pubmed/35538084 http://dx.doi.org/10.1038/s41598-022-10418-2

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