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Assessing the potential of deep learning for protein-ligand docking.

Europe PMC REST API · Indexed academic record · Source published: Wed Dec 31 2025 00:00:00 GMT+0000 (Coordinated Universal Time) · Indexed here: Thu Oct 08 2026 09:08:13 GMT+0000 (Coordinated Universal Time)

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The effects of ligand binding on protein structures and their in vivo functions carry numerous implications for modern biomedical research and biotechnology development efforts such as drug discovery. Although several deep learning (DL) methods and benchmarks designed for protein-ligand docking have recently been introduced, so far no previous works have systematically studied the behaviour of the

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