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Updated: May 27, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

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合理设计具有优化居住时间的子

Paolo Carloni1,2, Giulia Rossetti1,3,4, Christa E Müller5

  • 1Computational Biomedicine, Institute for Neuroscience and Medicine, INM-9, Forschungszentrum Jülich GmbH, 52428 Jülich, Germany.

ACS pharmacology & translational science
|February 20, 2025
PubMed
概括

药物停留时间 (RT) 对疗效至关重要. 这项研究结合了分子动力学和计算机辅助设计,以发现具有最佳结合亲和度和停留时间的配体,改善药物开发.

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