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Structure-aware artificial intelligence for next-generation drug discovery: from protein-ligand modeling to generative biomolecular design.
(academic.oup.com)
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Briefings in Bioinformatics 2026-07-03 | #protein structure #drug discovery #machine learning #molecular design #docking | |
| 0 | 💬 0 |
Topological deep learning for drug-target interaction, virtual screening, and docking scoring: a practical, benchmark-driven review.
(academic.oup.com)
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Briefings in Bioinformatics 2026-07-03 | #deep learning #drug discovery #topology #docking #virtual screening | |
| 0 | 💬 0 |
Ligand-agnostic off-target site prediction for early toxicity screening by leveraging point cloud-based protein cavity analysis.
(academic.oup.com)
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Briefings in Bioinformatics 2026-07-03 | #screening #toxicity #drug design #binding #docking |