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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…
q-bio.BM2025
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…