CurvAGN: Curvature-based Adaptive Graph Neural Networks for Predicting Protein-Ligand Binding Affinity

Accurately predicting the binding affinity between proteins and ligands is crucial for drug discovery. Recent advances in graph neural networks (GNNs) have made significant progress in learning representations of protein-ligand complexes to estimate binding affinities. To improve the performance of...

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Detalles Bibliográficos
Autores principales: Wu, Jianqiu, Chen, Hongyang, Cheng, Minhao, Xiong, Haoyi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10557336/
https://www.ncbi.nlm.nih.gov/pubmed/37798653
http://dx.doi.org/10.1186/s12859-023-05503-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10557336/
https://www.ncbi.nlm.nih.gov/pubmed/37798653
http://dx.doi.org/10.1186/s12859-023-05503-w

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