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Updated: Jun 8, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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应用线性相互作用能量方法对基于结构的氧化物合成酶抑制剂设计的应用

Alec H Follmer1, Thomas L Poulos2,3,1

  • 1Department of Chemistry, University of California, Irvine, Irvine, California 92697-3900, United States.

Journal of chemical information and modeling
|November 7, 2024
PubMed
概括

开发神经元氧化合成酶 (nNOS) 的特定抑制剂对于治疗神经病理至关重要. 一种新的计算方法准确地预测了抑制剂结合,有助于对nNOS的药物设计,同时节省内皮NOS (eNOS).

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