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

Arthur M. Lesk, Arun S. Konagurthu, Lloyd Allison, Maria Garcia de la Banda, Peter J. Stuckey, David Abramson

Research output: Contribution to journalArticleOtherpeer-review

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.

Original languageEnglish
Number of pages2
JournalProteins: Structure, Function, and Bioinformatics
DOIs
Publication statusAccepted/In press - 14 Jul 2020

Keywords

  • active-site ligand
  • COVID-19
  • modeling

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