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Updated: Jul 11, 2025

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以同进化驱动的方法有效模拟蛋白质的形状变化揭示了β2AR受体中联结体效应的分子细节

Darko Mitrovic1, Yue Chen1, Antoni Marciniak1

  • 1Department of Applied Physics, Science for Life Laboratory, KTH Royal Institute of Technology, Sweden Tomtebodavägen 23, 171 65 Solna, Sweden.

The journal of physical chemistry. B
|November 10, 2023
PubMed
概括

这项研究引入了一种新的机器学习方法来预测蛋白质构造状态,这对于理解蛋白质功能和药物相互作用至关重要. 该方法成功模拟了β-2上腺素受体,揭示了新的状态和连接体效应.

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