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从心脏离子通道与药物相互作用的分子模拟中预测心律失常风险

Kyle C Rouen1, Kush Narang1, Yanxiao Han2

  • 1Department of Physiology and Membrane Biology, University of California, Davis, Davis, California.

Biophysical journal
|December 18, 2025
PubMed
概括

与hERG等心脏离子通道的药物相互作用可能导致致命的心律失常. 这项研究使用计算建模和机器学习来预测药物结合 afinities 和评估心律失常风险,帮助更安全的药物开发.

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