Research publications and preprints

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Synthetic Protein-Ligand Complex Generation for Deep Molecular Docking

Sofiene Khiari, Matthew R. Masters, Amr H. Mahmoud, Markus A. Lill
ArXiv (preprint) | September 16, 2025 | DOI: 10.48550/arXiv.2509.12915
Molecular Docking, Deep Learning, Protein-Ligand Complexes, Synthetic Data, Computational Chemistry, Drug Discovery

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