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Updated: Sep 11, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

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多尺度的动机意识关系图形结构用于药物标绑定亲和力预测

Cheng Cheng, Xiaohong Zhang, Mianyang Yu

    IEEE transactions on computational biology and bioinformatics
    |August 14, 2025
    PubMed
    概括

    这项研究引入了一种新型的多尺度动机意识关系图 (MMRG) 来增强药物标结合亲和力预测. MMRG捕获关键的药物结构信息,优于传统的SMILES表示来改善药物发现.

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