Dynamical nonequilibrium molecular dynamics simulations identify allosteric sites and positions asso...
Dynamical nonequilibrium molecular dynamics simulations identify allosteric sites and positions associated with drug resistance in the SARS-CoV-2 main protease
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Cold Spring Harbor: Cold Spring Harbor Laboratory Press
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English
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Cold Spring Harbor: Cold Spring Harbor Laboratory Press
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The SARS-CoV-2 main protease (Mpro) plays an essential role in the coronavirus lifecycle by catalysing hydrolysis of the viral polyproteins at specific sites. Mpro is the target of drugs, such as nirmatrelvir, though resistant mutants have emerged that threaten drug efficacy. Despite its importance, questions remain on the mechanism of how Mpro bin...
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Dynamical nonequilibrium molecular dynamics simulations identify allosteric sites and positions associated with drug resistance in the SARS-CoV-2 main protease
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TN_cdi_proquest_journals_2753436420
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2753436420
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E-ISSN
2692-8205
DOI
10.1101/2022.12.10.519730
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https://www.proquest.com/docview/2753436420?pq-origsite=primo&accountid=13902
