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Updated: Apr 8, 2026

A Fluorogenic Peptide Cleavage Assay to Screen for Proteolytic Activity: Applications for coronavirus spike protein activation
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A Fluorogenic Peptide Cleavage Assay to Screen for Proteolytic Activity: Applications for coronavirus spike protein activation

Published on: January 9, 2019

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通过分子对接,GaMD模拟,相关性网络分析和MM-GBSA计算来识别SARS-CoV2-3CLpro 抑制剂的结合机制

Jianzhong Chen1, Jian Wang1, Wanchun Yang1

  • 1School of Science, Shandong Jiaotong University, Jinan 250357, China.

Molecules (Basel, Switzerland)
|February 26, 2025
PubMed
概括

计算模拟揭示了小分子如何抑制SARS-CoV-2 3CLpro,这是一个关键的COVID-19目标. 结果突出了特定的蛋白质残留物,这些残留物对于设计有效的抗病毒药物至关重要.

关键词:
在GaMD模拟中使用了GaMD模拟器.在MM-GBSA中使用.在SARS-CoV2-3CLpro.相关性网络分析 相关性网络分析正常模式分析正常模式分析

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