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Computational ab initio interaction analyses between neutralizing antibody and SARS-CoV-2 variant spike proteins using the fragment molecular orbital method

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The interaction energies between the receptor-binding domain of SARS-CoV-2 spike proteins and neutralizing antibody CC12.1 Fab were calculated using the fragment molecular orbital method. South Afr... Click to show full abstract

The interaction energies between the receptor-binding domain of SARS-CoV-2 spike proteins and neutralizing antibody CC12.1 Fab were calculated using the fragment molecular orbital method. South Afr...

Keywords: using fragment; molecular orbital; spike proteins; neutralizing antibody; fragment molecular; sars cov

Journal Title: Bulletin of the Chemical Society of Japan
Year Published: 2021

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