Author

Chen-Xiao Xiang

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Sep 2026

Structure-Guided Hybrid GCN−Transformer Framework for Enzyme Optimal pH Prediction

Accurate prediction of enzyme optimal pH (pHopt) is fundamental to biocatalyst engineering, pharmaceutical development, and process optimization, yet developing a reliable computational method remains challenging. To address this limitation, we present trPHopt, which is based on a structure-guided hybrid framework in...

Lian-Ci Tao, Ji-Long Zhang, Chen-Xiao Xiang et al. · ACS Synthetic Biology · 0 citations

Open access Oct 2026

trFlow: ultrafast all-atom protein conformational ensemble generation via conditional flow matching

Generating diverse, all-atom protein conformations remains challenging, especially for recovering alternative functional states and modeling conformational ensembles. We present trFlow, an ultrafast approach for generating all-atom conformations using geometry-guided flow matching. trFlow leverages three core innovatio...

Chen-Xiao Xiang, Kai-Long Zhao, Zhen-Ling Peng et al. · bioRxiv · 0 citations