Machine Learning and Network Analysis of Molecular Dynamics Trajectories Reveal Two Chains of Red/Ox...
Machine Learning and Network Analysis of Molecular Dynamics Trajectories Reveal Two Chains of Red/Ox-specific Residue Interactions in Human Protein Disulfide Isomerase
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London: Nature Publishing Group UK
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English
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London: Nature Publishing Group UK
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The human protein disulfide isomerase (hPDI), is an essential four-domain multifunctional enzyme. As a result of disulfide shuffling in its terminal domains, hPDI exists in two oxidation states with different conformational preferences which are important for substrate binding and functional activities. Here, we address the redox-dependent conforma...
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Machine Learning and Network Analysis of Molecular Dynamics Trajectories Reveal Two Chains of Red/Ox-specific Residue Interactions in Human Protein Disulfide Isomerase
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TN_cdi_doaj_primary_oai_doaj_org_article_d0419dec1dcd4d559403cd172a5bb667
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_d0419dec1dcd4d559403cd172a5bb667
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2045-2322
E-ISSN
2045-2322
DOI
10.1038/s41598-017-03966-5
