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WeightNameValue
1000 Titel
  • Development and simulation of fully glycosylated molecular models of ACE2-Fc fusion proteins and their interaction with the SARS-CoV-2 spike protein binding domain
1000 Autor/in
  1. Bernardi, Austen |
  2. Huang, Yihan |
  3. Harris, Bradley |
  4. Xiong, Yongao |
  5. Nandi, Somen |
  6. McDonald, Karen A. |
  7. Faller, Roland |
1000 Erscheinungsjahr 2020
1000 Publikationstyp
  1. Artikel |
1000 Online veröffentlicht
  • 2020-08-05
1000 Erschienen in
1000 Quellenangabe
  • 15(8):e0237295
1000 Copyrightjahr
  • 2020
1000 Lizenz
1000 Verlagsversion
  • https://doi.org/10.1371/journal.pone.0237295 |
1000 Ergänzendes Material
  • https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0237295#sec008 |
1000 Publikationsstatus
1000 Begutachtungsstatus
1000 Sprache der Publikation
1000 Abstract/Summary
  • We develop fully glycosylated computational models of ACE2-Fc fusion proteins which are promising targets for a COVID-19 therapeutic. These models are tested in their interaction with a fragment of the receptor-binding domain (RBD) of the Spike Protein S of the SARS-CoV-2 virus, via atomistic molecular dynamics simulations. We see that some ACE2 glycans interact with the S fragments, and glycans are influencing the conformation of the ACE2 receptor. Additionally, we optimize algorithms for protein glycosylation modelling in order to expedite future model development. All models and algorithms are openly available.
1000 Sacherschließung
gnd 1206347392 COVID-19
lokal Protein structure
lokal Biochemical simulations
lokal Glycosylation
lokal Cell binding
lokal Protein domains
lokal Protein interactions
lokal SARS-CoV-2
1000 Fächerklassifikation (DDC)
1000 Liste der Beteiligten
  1. https://frl.publisso.de/adhoc/uri/QmVybmFyZGksIEF1c3Rlbg==|https://frl.publisso.de/adhoc/uri/SHVhbmcsIFlpaGFu|https://frl.publisso.de/adhoc/uri/SGFycmlzLCBCcmFkbGV5|https://frl.publisso.de/adhoc/uri/WGlvbmcsIFlvbmdhbw==|https://frl.publisso.de/adhoc/uri/TmFuZGksIFNvbWVu|https://frl.publisso.de/adhoc/uri/TWNEb25hbGQsIEthcmVuIEEu|https://orcid.org/0000-0001-9946-3846
1000 Label
1000 Förderer
  1. University of California, Davis |
  2. National Aeronautics and Space Administration |
1000 Fördernummer
  1. -
  2. NNX17AJ31G; NNX17AJ31G; NNX16AO69A
1000 Förderprogramm
  1. COVID-19 Research Accelerator Funding Track (CRAFT)
  2. Space Technology Research
1000 Dateien
1000 Förderung
  1. 1000 joinedFunding-child
    1000 Förderer University of California, Davis |
    1000 Förderprogramm COVID-19 Research Accelerator Funding Track (CRAFT)
    1000 Fördernummer -
  2. 1000 joinedFunding-child
    1000 Förderer National Aeronautics and Space Administration |
    1000 Förderprogramm Space Technology Research
    1000 Fördernummer NNX17AJ31G; NNX17AJ31G; NNX16AO69A
1000 Objektart article
1000 Beschrieben durch
1000 @id frl:6422366.rdf
1000 Erstellt am 2020-08-06T11:47:38.004+0200
1000 Erstellt von 122
1000 beschreibt frl:6422366
1000 Bearbeitet von 122
1000 Zuletzt bearbeitet Thu Aug 06 11:49:10 CEST 2020
1000 Objekt bearb. Thu Aug 06 11:48:53 CEST 2020
1000 Vgl. frl:6422366
1000 Oai Id
  1. oai:frl.publisso.de:frl:6422366 |
1000 Sichtbarkeit Metadaten public
1000 Sichtbarkeit Daten public
1000 Gegenstand von

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