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Dynamic Interactions of Fully Glycosylated SARS-CoV-2 Spike Protein with Various Antibodies.

Journal of chemical theory and computation - 12 Oct 2021

Cao Yiwei, Choi Yeol Kyo, Frank Martin, Woo Hyeonuk, Park Sang-Jun, Yeom Min Sun, Seok Chaok, Im Wonpil

Abstract excerpt

The spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) presents a public health crisis, and the vaccines that can induce highly potent neutralizing antibodies are essential for ending the pandemic. The spike (S) protein on the viral envelope mediates human angiotensin-converting enzyme 2 binding and thus is the target of a variety of neutralizing antibodies. In this work, we built various S...

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Antibodies, Neutralizing
Antigen-Antibody Reactions
COVID-19
Glycosylation
Molecular Dynamics Simulation

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Molecular Structure

Polysaccharides

Spike Glycoprotein, Coronavirus

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Identifiers

PMID: 34529436
DOI: 10.1021/acs.jctc.1c00552
PMCID: PMC8457324

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