281 citations · 455 across the 11 of their papers we have counts for
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q-bio.BM2023★ 9 cited
Learning Subpocket Prototypes for Generalizable Structure-based Drug Design
Zaixi Zhang, Qi Liu
Generating molecules with high binding affinities to target proteins (a.k.a. structure-based drug design) is a fundamental and challenging task in drug discovery. Recently, deep ge…
q-bio.BM2023
An Equivariant Generative Framework for Molecular Graph-Structure Co-Design
Zaixi Zhang, Qi Liu, Chee-Kong Lee +2
Designing molecules with desirable physiochemical properties and functionalities is a long-standing challenge in chemistry, material science, and drug discovery. Recently, machine…