GNNSeq: A Sequence-Based Graph Neural Network for Predicting Protein–Ligand Binding Affinity

<b>Background/Objectives:</b> Accurately predicting protein–ligand binding affinity is essential in drug discovery for identifying effective compounds. While existing sequence-based machine learning models for binding affinity prediction have shown potential, they lack accuracy and robustness in pat...

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Κύριοι συγγραφείς:	Somanath Dandibhotla, Madhav Samudrala, Arjun Kaneriya, Sivanesan Dakshanamurthy
Μορφή:	Artigo
Γλώσσα:	Inglês
Έκδοση:	MDPI AG 2025-02-01
Σειρά:	Pharmaceuticals
Θέματα:	protein–ligand binding affinity machine learning graph neural network sequence-based protein–ligand affinity prediction
Διαθέσιμο Online:	https://www.mdpi.com/1424-8247/18/3/329
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