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使用分子动力学模拟和结合自由能量计算来解码ZAP-70的R192W突变的失活机制

Xuehua Zhang1, Wenqi Liang2, Guodong Zheng3

  • 1Suzhou Hospital, Affiliated Hospital of Medical School, Nanjing University, Suzhou, China.

Journal of molecular modeling
|November 12, 2023
PubMed
概括

在ZAP-70 (70kDa的zeta链相关蛋白) 中的R192W突变通过改变蛋白质结构和降低结合亲和力来破坏T细胞信号传递. 这项研究阐明了ZAP-70在自身免疫性疾病中的失活机制.

关键词:
自身免疫性疾病是一种自身免疫性疾病.在MM-GBSA中使用.分子动力学模拟的模拟.这就是ZAP-70的特点.

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Luminescence, the emission of light by a substance that has absorbed energy, is a process that involves the interaction of molecules with light. The energy-level diagram, or Jablonski diagram, is a graphical representation of these interactions, illustrating the various states and transitions a molecule can undergo. In a typical Jablonski diagram, the lowest horizontal line represents the ground-state energy of the molecule, which is usually a singlet state. This state represents the energies...
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