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Sisi Yuan

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Jun 2025

READ: A Retrieval-Alignment Diffusion Framework for Structure-based Drug Design.

Structure-based drug design (SBDD) models are central to modern pharmaceutical research, enabling the rational exploration of protein-ligand interactions at atomic resolution. However, most existing approaches frame molecular generation as an isolated optimization or a one-to-one matching task, overlooking the shared b...

Dong Xu, Zhang-Fan Yang, Junchuang Cai et al. · 1 citation

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