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Updated: May 12, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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基于De Novo分子设计发现狼性炎向抑制剂:全面应用维纳多评分,ADMET分析和分子动力学模拟

Kaiyuan Zhang1, Yingkai Tang2, Haiyue Yu1

  • 1School of Clinical Medicine, Bengbu Medical College, China.

Journal of biomolecular structure & dynamics
|March 19, 2024
PubMed
概括

研究人员设计了一种新药,ClimYnib,针对NIK蛋白治疗狼性炎 (LN). 计算方法验证了ClimYnib的有效性.

关键词:
计算机辅助药物设计在新的药物设计中,新的药物设计.在MM/pbsa上NF-kappaB可以诱导的激酶.动力学 动力学 动力学电静电潜力的电静电潜力一个分子的分子分子分子.分子对接的分子对接.

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