8 citations · 8 across the 2 of their papers we have counts for
4 papers
Generative Retrieval for Reverse Target Fishing with a Proteome-Scale Benchmark
Zhichao Deng, Haichuan Tan, Xin Hong +4
Reverse target fishing identifies protein targets for a query molecule and is central to drug discovery and repurposing. Discriminative approaches adapted from virtual screening fa…
AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation
Wenyu Zhu, Jianhui Wang, Bowen Gao +5
Virtual screening (VS) is a critical component of modern drug discovery, yet most existing methods--whether physics-based or deep learning-based--are developed around holo protein…
From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics
Bowen Gao, Haichuan Tan, Yanwen Huang +5
Recent advancements in structure-based drug design (SBDD) have significantly enhanced the efficiency and precision of drug discovery by generating molecules tailored to bind specif…
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…