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

authors

  • Zimmerman, Maxwell I
  • 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
  • Porter, Justin R
  • Ward, Michael D
  • Singh, Sukrit
  • Vithani, Neha
  • Meller, Artur
  • Mallimadugula, Upasana L
  • Kuhn, Catherine E
  • Borowsky, Jonathan H

publication date

  • January 1, 2021