Constructing high-accuracy theoretical Raman spectra of SARS-CoV-2 spike proteins based on a large fragment method

Shuang Ni,Qiang Yang, Jinling Huang,Minjie Zhou,Lai Wei,Yue Yang, Jiaxin Wen,Wenbo Mo,Wei Le,Daojian Qi, Lei Jin,Bo Li, Zongqin Zhao,Kai Du

Chemical Physics Letters（2022）

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摘要

Schematic diagram of SARS-CoV-2 spike protein divides into large fragments, each colored region represents a large fragment, and Comparison between the DFT calculation using large fragments method and experimental Raman spectrum of SARS-CoV-2 spike protein.

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关键词

Raman spectra,Spike protein,SARS-CoV-2,Large fragment

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