3 papers
q-bio.BM2026
Atomic Trajectory Modeling with State Space Models for Biomolecular Dynamics
Liang Shi, Jiarui Lu, Junqi Liu +3
Understanding the dynamic behavior of biomolecules is fundamental to elucidating biological function and facilitating drug discovery. While Molecular Dynamics (MD) simulations prov…
cs.LG2026
Property-driven Protein Inverse Folding With Multi-Objective Preference Alignment
Xiaoyang Hou, Junqi Liu, Chence Shi +3
Protein sequence design must balance designability, defined as the ability to recover a target backbone, with multiple, often competing, developability properties such as solubilit…
q-bio.BM2025
Structure Language Models for Protein Conformation Generation
Jiarui Lu, Xiaoyin Chen, Stephen Zhewen Lu +4
Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Tradi…