Author

Xiaojun Yao

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#machine learning Aug 2025

PepPCBench is a Comprehensive Benchmarking Framework for Protein-Peptide Complex Structure Prediction

PepPCBench enables a robust evaluation of PFNN-based methods and supports their continued development for peptide-protein structure prediction, and highlights the influence of peptide length, conformational flexibility, and training set similarity on prediction accuracy.

Si-Long Zhai, Huifeng Zhao, Ji-Ke Wang et al. · Journal of Chemical Informat... · 13 citations · ⚡1

#natural language process... Open access Nov 2025

A virtual platform for automated hybrid organic-enzymatic synthesis planning

The results indicate that this fully automated, open-source system holds potential value for improving the efficiency and sustainability of molecular synthesis, and the integration of organic and enzymatic synthesis enhances molecule construction efficiency.

Xiaorui Wang, Xiaodan Yin, Xujun Zhang et al. · Nature Communications · 0 citations