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Updated: Jun 18, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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洞察使用分子对接和分子动力学模拟的三种有机污染物对人类和北极熊孕妇X受体的分子识别

Ruige Wang1, Yaqi Lin1, Ying Sun1

  • 1College of Chemistry and Chemical Engineering, Qiqihar University, Qiqihar, 161006, China.

Environment international
|August 4, 2024
PubMed
概括

北极熊和人类的Pregnane X受体 (PXR) 与有机污染物 (OPs) 相似地相互作用,但OPs独特地改变受体动态,影响结合和特定物种的激活. 这影响了对内分泌干扰物的理解.

关键词:
能源计算 能源计算环境有机污染物 环境有机污染物人类孕妇X受体受体模拟MDMD的模拟北极熊怀孕的X受体受体

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