SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome

  • Maxwell I. Zimmerman
  • , Justin R. Porter
  • , Michael D. Ward
  • , Sukrit Singh
  • , Neha Vithani
  • , Artur Meller
  • , Upasana L. Mallimadugula
  • , Catherine E. Kuhn
  • , Jonathan H. Borowsky
  • , Rafal P. Wiewiora
  • , Matthew F.D. Hurley
  • , Aoife M. Harbison
  • , Carl A. Fogarty
  • , Joseph E. Coffland
  • , Elisa Fadda
  • , Vincent Voelz
  • , John D. Chodera
  • , Gregory R. Bowman

Research output: Contribution to journal › Article › peer-review

182 Scopus citations

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Biochemistry, Genetics and Molecular Biology