10 papers
Retrieval-Augmented Multimodal Learning for Enzyme-Substrate Interaction Prediction Under Low-Homology Shift
Chen Liu, Bingxin Zhou, Xinyuan Wang +3
Enzyme substrate interaction (ESI) prediction is a fundamental computational task for biocatalyst discovery and reaction screening in large biochemical spaces. In practical setting…
Fast and Interpretable Protein Substructure Alignment via Optimal Transport
Zhiyu Wang, Bingxin Zhou, Jing Wang +4
Proteins are essential biological macromolecules that execute life functions. Local structural motifs, such as active sites, are the most critical components for linking structure…
Self-evolving AI agents for protein discovery and directed evolution
Yang Tan, Lingrong Zhang, Mingchen Li +5
Protein scientific discovery is bottlenecked by the manual orchestration of information and algorithms, while general agents are insufficient in complex domain projects. VenusFacto…
Preserving Core Structures of Social Networks via Information Guided Multi-Step Graph Pruning
Yutong Hu, Bingxin Zhou, Jing Wang +2
Social networks often contain dense and overlapping connections that obscure their essential interaction patterns, making analysis and interpretation challenging. Identifying the s…
VenusX: Unlocking Fine-Grained Functional Understanding of Proteins
Yang Tan, Wenrui Gou, Bozitao Zhong +3
Deep learning models have driven significant progress in predicting protein function and interactions at the protein level. While these advancements have been invaluable for many b…
Immunogenicity Prediction with Dual Attention Enables Vaccine Target Selection
Song Li, Yang Tan, Song Ke +2
Immunogenicity prediction is a central topic in reverse vaccinology for finding candidate vaccines that can trigger protective immune responses. Existing approaches typically rely…