4 citations · 13 across the 8 of their papers we have counts for
4 papers · 1 filter
Cross-Chirality Generalization by Axial Vectors for Hetero-Chiral Protein-Peptide Interaction Design
Ziyi Yang, Zitong Tian, Yinjun Jia +7
D-peptide binders targeting L-proteins have promising therapeutic potential. Despite rapid advances in machine learning-based target-conditioned peptide design, generating D-peptid…
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…
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…
Protein-ligand binding representation learning from fine-grained interactions
Shikun Feng, Minghao Li, Yinjun Jia +2
The binding between proteins and ligands plays a crucial role in the realm of drug discovery. Previous deep learning approaches have shown promising results over traditional comput…