Equivariant 3D-Conditional Diffusion Model for De Novo Drug Design
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DOI: 10.1109/jbhi.2024.3491318
Abstract: De novo drug design speeds up drug discovery, mitigating its time and cost burdens with advanced computational methods. Previous work either insufficiently utilized the 3D geometric structure of the target proteins, or generated ligands in… read more here.
Keywords: equivariant conditional; drug design; conditional diffusion; drug ... See more keywords