The recent outbreak of a novel coronavirus (SARS-CoV-2) has caused substantial public health issues worldwide. Cold atmospheric plasma (CAP) has shown its potential application in sterilization. It would be interesting to check the possible effect of CAP on the structure of the C-terminal domain of SARS-CoV-2 (SARS-CoV-2-CTD) spike protein and the interaction SARS-CoV-2-CTD with human angiotensin-converting enzyme 2 (hACE2). Therefore, we performed molecular dynamics simulations to calculate the root-mean-square deviation, root-mean-square fluctuation, principal component analysis and solvent-accessible surface area of SARS-CoV-2-CTD and the SARS-CoV-2-CTD/hACE2 complex with and without possible oxidation.

最近爆​​发的新型冠状病毒（SARS-CoV-2）在全球范围内引起了严重的公共卫生问题。冷大气等离子体（CAP）已显示其在消毒中的潜在应用。检查CAP对SARS-CoV-2（SARS-CoV-2-CTD）刺突蛋白C末端结构域的结构以及SARS-CoV-2-CTD与人血管紧张素的相互作用的可能影响-转化酶2（hACE2）。因此，我们进行了分子动力学模拟，以计算SARS-CoV-2-CTD和SARS-CoV-2-CTD的均方根偏差，均方根波动，主成分分析和溶剂可及表面积。 / hACE2复合物，有和没有可能的氧化。