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Updated: May 13, 2025

Submillisecond Conformational Changes in Proteins Resolved by Photothermal Beam Deflection
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从Apo到联结:通过先进的分子动力学解开PPARγ-LBD形态变化

Emanuele Falbo1, Pietro Delre1, Antonio Lavecchia1

  • 1Department of Pharmacy, "Drug Discovery Laboratory", University of Naples Federico II, via Domenico Montesano 49, I-80131 Naples, Italy.

ACS omega
|April 14, 2025
PubMed
概括

模拟了氧酶增殖器激活受体玛 (PPARγ) 连接体结合动态. 机器学习揭示了agonists和antagonists如何改变PPARγ构造,影响转录活动.

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