Critical interactions for SARS-CoV-2 spike protein binding to ACE2 identified by machine learning
Critical interactions for SARS-CoV-2 spike protein binding to ACE2 identified by machine learning
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Cold Spring Harbor: Cold Spring Harbor Laboratory Press
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Language
English
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Publisher
Cold Spring Harbor: Cold Spring Harbor Laboratory Press
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ABSTRACT Both SARS-CoV and SARS-CoV-2 bind to the human ACE2 receptor. Based on high-resolution structures, the two viruses bind in practically identical conformations, although several residues of the receptor-binding domain (RBD) differ between them. Here we have used molecular dynamics (MD) simulations, machine learning (ML), and free energy per...
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Full title
Critical interactions for SARS-CoV-2 spike protein binding to ACE2 identified by machine learning
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TN_cdi_proquest_journals_2504843919
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2504843919
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ISSN
2692-8205
E-ISSN
2692-8205
DOI
10.1101/2021.03.19.436231
