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SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome.
Zimmerman, Maxwell I; Porter, Justin R; Ward, Michael D; Singh, Sukrit; Vithani, Neha; Meller, Artur; Mallimadugula, Upasana L; Kuhn, Catherine E; Borowsky, Jonathan H; Wiewiora, Rafal P; Hurley, Matthew F D; Harbison, Aoife M; Fogarty, Carl A; Coffland, Joseph E; Fadda, Elisa; Voelz, Vincent A; Chodera, John D; Bowman, Gregory R.
Afiliação
  • Zimmerman MI; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St Louis, MO, USA.
  • Porter JR; Center for Science and Engineering of Living Systems (CSELS), Washington University in St. Louis, St Louis, MO, USA.
  • Ward MD; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St Louis, MO, USA.
  • Singh S; Center for Science and Engineering of Living Systems (CSELS), Washington University in St. Louis, St Louis, MO, USA.
  • Vithani N; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St Louis, MO, USA.
  • Meller A; Center for Science and Engineering of Living Systems (CSELS), Washington University in St. Louis, St Louis, MO, USA.
  • Mallimadugula UL; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St Louis, MO, USA.
  • Kuhn CE; Center for Science and Engineering of Living Systems (CSELS), Washington University in St. Louis, St Louis, MO, USA.
  • Borowsky JH; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St Louis, MO, USA.
  • Wiewiora RP; Center for Science and Engineering of Living Systems (CSELS), Washington University in St. Louis, St Louis, MO, USA.
  • Hurley MFD; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St Louis, MO, USA.
  • Harbison AM; Center for Science and Engineering of Living Systems (CSELS), Washington University in St. Louis, St Louis, MO, USA.
  • Fogarty CA; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St Louis, MO, USA.
  • Coffland JE; Center for Science and Engineering of Living Systems (CSELS), Washington University in St. Louis, St Louis, MO, USA.
  • Fadda E; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St Louis, MO, USA.
  • Voelz VA; Center for Science and Engineering of Living Systems (CSELS), Washington University in St. Louis, St Louis, MO, USA.
  • Chodera JD; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St Louis, MO, USA.
  • Bowman GR; Center for Science and Engineering of Living Systems (CSELS), Washington University in St. Louis, St Louis, MO, USA.
Nat Chem ; 13(7): 651-659, 2021 07.
Article em En | MEDLINE | ID: mdl-34031561
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Glicoproteína da Espícula de Coronavírus / SARS-CoV-2 / COVID-19 Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Humans Idioma: En Revista: Nat Chem Assunto da revista: QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Glicoproteína da Espícula de Coronavírus / SARS-CoV-2 / COVID-19 Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Humans Idioma: En Revista: Nat Chem Assunto da revista: QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos