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Updated: Jul 19, 2025

Kinase Inhibitor Screening In Self-assembled Human Protein Microarrays
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一种基于混合结构的机器学习方法,用于预测小分子的激酶抑制

Changchang Liu1, Peter Kutchukian2, Nhan D Nguyen3

  • 1Laboratory of Systems Pharmacology, Department of Systems Biology, Harvard Program in Therapeutic Science, Harvard Medical School, Boston, Massachusetts 02115, United States.

Journal of chemical information and modeling
|August 18, 2023
PubMed
概括

本研究介绍了一种使用机器学习的计算方法,用于预测酶-化合物相互作用. 该方法准确地识别了激酶标,通过理解结合亲和关系来改善药物发现.

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相关概念视频

Protein-protein Interfaces02:04

Protein-protein Interfaces

Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
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