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Updated: Jul 17, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

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通过自适应地调整异质网络的拓结构来预测药物蛋白相互作用

Rong Tang, Chang Sun, Jipeng Huang

    IEEE journal of biomedical and health informatics
    |September 6, 2023
    PubMed
    概括

    这项研究引入了SATS,一种通过适应性调整网络结构来预测药物蛋白相互作用 (DPI) 的新方法. SATS 提高了预测准确度,特别是在不完整数据的情况下,有助于药物发现.

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