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

doi:10.1002/prot.25980

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

Department of Data Science & AI

Research output: Contribution to journal › Article › Other › peer-review

1 Citation (Scopus)

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 language	English
Pages (from-to)	1557-1558
Number of pages	2
Journal	Proteins: Structure, Function and Bioinformatics
Volume	88
Issue number	12
DOIs	https://doi.org/10.1002/prot.25980
Publication status	Published - Dec 2020

Keywords

active-site ligand
COVID-19
modeling

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10.1002/prot.25980

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title = "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.",

keywords = "active-site ligand, COVID-19, modeling",

author = "Lesk, \{Arthur M.\} and Konagurthu, \{Arun S.\} and Lloyd Allison and \{Garcia de la Banda\}, Maria and Stuckey, \{Peter J.\} and David Abramson",

year = "2020",

month = dec,

doi = "10.1002/prot.25980",

language = "English",

volume = "88",

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AU - Konagurthu, Arun S.

AU - Allison, Lloyd

AU - Garcia de la Banda, Maria

AU - Stuckey, Peter J.

AU - Abramson, David

PY - 2020/12

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AB - 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.

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KW - modeling

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U2 - 10.1002/prot.25980

DO - 10.1002/prot.25980

M3 - Article

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JO - Proteins: Structure, Function and Bioinformatics

JF - Proteins: Structure, Function and Bioinformatics

IS - 12

ER -

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

Abstract

Keywords

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