通过分子动力学模拟,马尔科夫状态建模和大型语言模型突变预测,对ACE2-RBD相互作用的结构演变进行动态洞察

Yutao Zhou1,2, Tong Wang1

  • 1State Key Laboratory of Membrane Biology and Beijing Frontier Research Center for Biological Structure and Tsinghua-Peking Center for Life Sciences and Center for Life Sciences and Artificial Intelligence, School of Life Sciences, Tsinghua University, Beijing 100084, China.

PubMed
概括

像Omicron BA.2 ,BA.2.86和JN.1这样的SARS-CoV-2变体显示出改变了与ACE2受体的结合动态. 我们的研究揭示了突变如何影响病毒相互作用,帮助未来的治疗设计.