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DTSTART:19700308T020000
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DTSTAMP:20210402T160544Z
LOCATION:Poster Module
DTSTART;TZID=America/New_York:20201119T083000
DTEND;TZID=America/New_York:20201119T170000
UID:submissions.supercomputing.org_SC20_sess337_rpost124@linklings.com
SUMMARY:Long-Time Simulation of Temperature-Varying Conformations of COVID
 -19 Spike Glycoprotein on IBM Supercomputers
DESCRIPTION:Posters, Research Posters\n\nLong-Time Simulation of Temperatu
 re-Varying Conformations of COVID-19 Spike Glycoprotein on IBM Supercomput
 ers\n\nSong, Zhang, Han, Zhang, Deng\n\nWe investigated the conformational
  variations and phase transition properties of the spike glycoprotein (S-p
 rotein) of the coronavirus SARS-CoV-2 at temperatures ranging from 3&#8451
 ; to 300℃ on the IBM Power9-based AI supercomputers. Our microsecond
  time-scale molecular dynamics simulations on the temperature-dependent pr
 operties of the S-protein help reveal that the protein is structurally sta
 ble at 3℃, consistent with observations that the virus stays active 
 for more than two weeks in the cold supply chain; that the protein’s side 
 chains are more oscillatory from 60℃ to 80ºC; and that the protein’s
  survival time at temperatures 3℃, 20℃-37℃, 60℃-70
 ℃, 80℃-95℃ and 300℃ groups roughly to week-, day-,
  minute- and microsecond-scales, respectively, by correlating with in vitr
 o data.\n\nRegistration Category: Tech Program Reg Pass, Exhibits Reg Pass
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