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通过完整的量子力学建模预测潜在的SARS-CoV-2引起关注的突变

Marco Zaccaria1, Luigi Genovese2, Brigitte E Lawhorn1

  • 1Department of Biology, Boston College, Chestnut Hill, MA, USA.

Journal of the Royal Society, Interface
|February 6, 2024
PubMed
概括

量子力学模型预测SARS-CoV-2尖端变体与人类的ACE2受体结合. 这项研究使用了13,000个原子的模拟来识别关键突变,通过实验验证预测.

关键词:
这就是SARS-CoV-2病毒.在 Ab Initio 建模中.进化 演化 演化 演化 演化 演化 演化 演化蛋白质蛋白质相互作用量子力学建模的量子力学建模尖子蛋白质是什么?

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