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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Tiantian Ma

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Sep 2026

LGBind: A structure-guided deep learning framework for accurate prediction of protein-ligand binding sites.

Unraveling the precise mechanisms of protein-ligand recognition remains a cornerstone of structure-based drug discovery. While recent deep learning advances have accelerated computational screening, a critical bottleneck persists: binding pocket characterization is often rigidly disconnected from the querying molecule'...

Yun-Feng Li, Xing-Yu Liu, Yi-Jia Liu et al. · 0 citations
Aug 2026

CABA-Bind: Confounder-aligned backdoor adjustment for debiased RNA-ligand binding prediction.

CABA-Bind improves the reliability and ligand-specific interpretability of RNA-ligand molecular recognition modeling, and provided computational evidence suggesting that model-highlighted RNA regions around G17 and A53/A54 may contribute to ligand-associated recognition.

Xiaoqin Wang, Xingyu Liu, Zhiwei Zhang et al. · 0 citations

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