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Updated: Jan 6, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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解码ROCK1抑制:对关键结合因子进行全面的计算分析,以合理设计新型神经治疗药物

Ashish Gupta1, Rituraj Purohit2

  • 1Structural Bioinformatics Lab, Biotechnology Division, CSIR-Institute of Himalayan Bioresource Technology (CSIR-IHBT), Palampur, HP, 176061, India.

Archives of biochemistry and biophysics
|October 25, 2025
PubMed
概括

罗-关联卷曲-卷曲激酶1 (ROCK1) 是神经系统疾病治疗的关键标. 这项研究确定了ROCK1中的关键氨基酸.

关键词:
免费能源的计算方法在MM-PBSASA中使用.分子动力学模拟的模拟.蛋白质 - 配体相互作用在Rock1上,你会看到Rock1.引导的分子动力学.

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