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Hai-Yang Cui

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Oct 2026

Molecular Dynamics Simulations Empowered De Novo Design of Binding Peptide for Enhanced Direct Bioelectrocatalytic Oxygen Reduction

A key challenge in enzymatic electrocatalysis is the precise control of enzyme orientation on electrode surfaces to enable efficient direct electron transfer. Binding peptides have been reported to be helpful in assisting the favorable orientation of multicopper oxidases, while seeking and engineering natural binding...

Xiu-Feng Wang, Meng Zhang, He-Jian Zhang et al. · 0 citations
#reinforcement learning Open access Sep 2026

AI-Guided Multi-Objective Engineering of Glucoamylase Enables Acidification-Free Starch Saccharification

An artificial intelligence-guided strategy to simultaneously improve the thermostability, pH tolerance, and catalytic activity of glucoamylase from Penicillium oxalicum (PoGA) and folding energy guided recombination to achieve simultaneous multi property optimization is developed.

Jie Qiao, Xiao-Rui Ma, Yi-Bo Song et al. · 0 citations
Sep 2026

Decoding MOF-Enzyme-Substrate Compatibility for Universal Biocatalyst Immobilization.

Metal-organic frameworks (MOFs) are widely used for enzyme immobilization due to their tunable pore structures and high stability. However, whether a relatively universal MOF carrier can support diverse enzymatic reactions remains unclear. Herein, we systematically evaluated 120 MOF-enzyme-substrate combinations using...

Xiu-Feng Wang, Bo Zhou, Yu-Han Huang et al. · 0 citations
Review Aug 2026

Machine learning for precision prediction of antimicrobial peptide activity and spectrum.

How recent advances in machine learning are reshaping AMP research is examined, driving a shift from large-scale discovery toward precision-guided prediction and design and emphasizing integrated generative-predictive pipelines, interpretable models, and closed-loop experimental validation as key enablers for the devel...

Tianxiao Wan, Yi-Ling Wang, Tianle Ren et al. · 0 citations

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