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q-bio.BM2026
Learning Protein Structure-Function Relationships through Knowledge-guided Representation Decomposition
Mingqing Wang, Zhiwei Nie, Athanasios V. Vasilakos +2
Proteins encode diverse functions within complex three-dimensional structures, yet most deep learning representations remain highly entangled, obscuring the biophysical signals tha…
cs.LG2026
Pseudodata-guided Invariant Representation Learning Boosts the Out-of-Distribution Generalization in Enzymatic Kinetic Parameter Prediction
Haomin Wu, Zhiwei Nie, Hongyu Zhang +1
Accurate prediction of enzyme kinetic parameters is essential for understanding catalytic mechanisms and guiding enzyme engineering.However, existing deep learning-based enzyme-sub…