8 citations · 20 across the 14 of their papers we have counts for
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q-bio.QM2023
Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods
Minsi Ren, Bowen Gao, Bo Qiang +1
Structure-based drug design (SBDD) stands at the forefront of drug discovery, emphasizing the creation of molecules that target specific binding pockets. Recent advances in this ar…
cs.LG2023★ 8 cited
DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
Bowen Gao, Bo Qiang, Haichuan Tan +6
Virtual screening, which identifies potential drugs from vast compound databases to bind with a particular protein pocket, is a critical step in AI-assisted drug discovery. Traditi…
cs.LG2023★ 3 cited
ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment
Bowen Gao, Yinjun Jia, Yuanle Mo +4
Pocket representations play a vital role in various biomedical applications, such as druggability estimation, ligand affinity prediction, and de novo drug design. While existing ge…