3 papers
q-bio.BM2026
STELLA: A Multimodal LLM for Protein Functional Annotation via Unified Sequence-Structure Encoding
Hongwang Xiao, Wenjun Lin, Xi Chen +7
Understanding the intricate interplay among sequence, structure, and function remains a fundamental challenge in proteomics. The sequence-structure-function paradigm posits that bi…
cs.LG2025
Constraint Decoupled Latent Diffusion for Protein Backmapping
Xu Han, Yuancheng Sun, Kai Chen +3
Coarse-grained (CG) molecular dynamics simulations enable efficient exploration of protein conformational ensembles. However, reconstructing atomic details from CG structures (back…
cs.LG2025
EPO: Diverse and Realistic Protein Ensemble Generation via Energy Preference Optimization
Yuancheng Sun, Yuxuan Ren, Zhaoming Chen +3
Accurate exploration of protein conformational ensembles is essential for uncovering function but remains hard because molecular-dynamics (MD) simulations suffer from high computat…