195 citations · 551 across the 15 of their papers we have counts for
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q-bio.BM2022★ 7 cited
A 3D Generative Model for Structure-Based Drug Design
Shitong Luo, Jiaqi Guan, Jianzhu Ma +1
We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep…
q-bio.BM2022★ 4 cited
Orientation-Aware Graph Neural Networks for Protein Structure Representation Learning
Jiahan Li, Shitong Luo, Congyue Deng +5
By folding into particular 3D structures, proteins play a key role in living beings. To learn meaningful representation from a protein structure for downstream tasks, not only the…