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Updated: Jul 11, 2025

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通过MMGBSA/MMPBSA方法评估ERβ与DPN和衍生品的结构和热力学洞察力

Martiniano Bello1

  • 1Laboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotecnológica, Escuela Superior de Medicina, Instituto Politécnico Nacional, Ciudad de México 11340, México.

Steroids
|November 10, 2023
PubMed
概括

这项研究使用分子动力学模拟来了解DPN,一种ERβ选择性激动剂,如何与雌激素受体β (ERβ) 结合. 该MMGBSA方法准确地预测了结合 afinities,为设计新的基于DPN的药物提供了洞察力.

关键词:
有约束力的自由能源.DPN DPN DPN的意思是什么意思雌激素受体是一种受体.模拟MDMD的模拟在MMGBSA中,我们可以看到MMGBSA.

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