4 citations · 13 across the 8 of their papers we have counts for
4 papers · 1 filter
MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis
Shikun Feng, Jiaxin Zheng, Yinjun Jia +4
Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining an…
SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
Yanwen Huang, Bowen Gao, Yinjun Jia +4
Small molecules play a pivotal role in modern medicine, and scrutinizing their interactions with protein targets is essential for the discovery and development of novel, life-savin…
Multi-level Interaction Modeling for Protein Mutational Effect Prediction
Yuanle Mo, Xin Hong, Bowen Gao +2
Protein-protein interactions are central mediators in many biological processes. Accurately predicting the effects of mutations on interactions is crucial for guiding the modulatio…
Full-Atom Peptide Design with Geometric Latent Diffusion
Xiangzhe Kong, Yinjun Jia, Wenbing Huang +1
Peptide design plays a pivotal role in therapeutics, allowing brand new possibility to leverage target binding sites that are previously undruggable. Most existing methods are eith…