2 papers
physics.chem-ph2026
Reaction-Transformation-Aware Flow Matching for Generalizable Transition State Generation
Kaipeng Zeng, Wenxi Zhai, Shengrui Xu +5
Transition-state (TS) structures define the energetic barriers and mechanistic pathways of elementary chemical reactions, yet their identification remains computationally demanding…
cs.LG2025
SCMPPI: Supervised Contrastive Multimodal Framework for Predicting Protein-Protein Interactions
Shengrui XU, Tianchi Lu, Zikun Wang +1
Protein-protein interaction (PPI) prediction plays a pivotal role in deciphering cellular functions and disease mechanisms. To address the limitations of traditional experimental m…