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Computer modeling of a potential agent against SARS-Cov-2 (COVID-19) protease.


ABSTRACT: We have modeled modifications of a known ligand to the SARS-CoV-2 (COVID-19) protease, that can form a covalent adduct, plus additional ligand-protein hydrogen bonds.

SUBMITTER: Lesk AM 

PROVIDER: S-EPMC7405024 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

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Computer modeling of a potential agent against SARS-Cov-2 (COVID-19) protease.

Lesk Arthur M AM   Konagurthu Arun S AS   Allison Lloyd L   Garcia de la Banda Maria M   Stuckey Peter J PJ   Abramson David D  

Proteins 20200812 12


We have modeled modifications of a known ligand to the SARS-CoV-2 (COVID-19) protease, that can form a covalent adduct, plus additional ligand-protein hydrogen bonds. ...[more]

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