112 citations · 552 across the 46 of their papers we have counts for
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q-bio.QM2022★ 25 cited
State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
Zhuoran Qiao, Weili Nie, Arash Vahdat +2
The binding complexes formed by proteins and small molecule ligands are ubiquitous and critical to life. Despite recent advancements in protein structure prediction, existing algor…
q-bio.QM2022★ 8 cited
Retrieval-based Controllable Molecule Generation
Zichao Wang, Weili Nie, Zhuoran Qiao +3
Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods…