Li Zhuo, Hirst Jonathan D
School of Pharmaceutical Sciences, Jilin University, Changchun 130021, China.
School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom.
Chem Phys Lett. 2020 Nov;758:137935. doi: 10.1016/j.cplett.2020.137935. Epub 2020 Aug 29.
Treatment for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the virus that causes Covid-19, may well be predicated on knowledge of the structures of protein of this virus. However, often these cannot be determined easily or quickly. Herein, we provide calculated circular dichroism (CD) spectra in the far- and near-UV, and infra-red (IR) spectra in the amide I region for experimental structures and computational models of SARS-CoV-2 proteins. The near-UV CD spectra offer greatest sensitivity in assessing the accuracy of models.
导致新冠肺炎的严重急性呼吸综合征冠状病毒2（SARS-CoV-2）的治疗很可能基于对该病毒蛋白质结构的了解。然而，这些结构往往不容易或快速确定。在此，我们提供了严重急性呼吸综合征冠状病毒2蛋白质的实验结构和计算模型在远紫外和近紫外区域的计算圆二色性（CD）光谱，以及酰胺I区域的红外（IR）光谱。近紫外CD光谱在评估模型准确性方面具有最高的灵敏度。
