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q-bio.BM2026
PocketVE: Stable and Property-Guided Structure-Based Drug Design with Variance-Exploding Diffusion
Peining Zhang, Jinbo Bi
Protein-conditioned 3D molecule generation is a central challenge in structure-based drug design, requiring a balance between pocket compatibility, molecular properties, and physic…
q-bio.BM2025★ 8 cited
Unraveling the Potential of Diffusion Models in Small Molecule Generation
Peining Zhang, Daniel Baker, Minghu Song +1
Generative AI presents chemists with novel ideas for drug design and facilitates the exploration of vast chemical spaces. Diffusion models (DMs), an emerging tool, have recently at…