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DTSTAMP:20211207T055344Z
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UID:submissions.supercomputing.org_SC21_sess249@linklings.com
SUMMARY:Gordon Bell COVID-19 Special Prize Finalist Session 2
DESCRIPTION:ACM Gordon Bell Finalist, Awards Presentation\n\nFEP-Based Lar
 ge-Scale Virtual Screening for Effective Drug Discovery against COVID-19\n
 \nLi, Wu, Li, Liu, Lu...\n\nAs a theoretically rigorous and accurate metho
 d, FEP-ABFE (Free Energy Perturbation-Absolute Binding Free Energy) calcul
 ations showed great potential in drug discovery, but its practical applica
 tion was difficult due to high computational cost. To rapidly discover ant
 iviral drugs targeting SARS-CoV-...\n\n---------------------\n#COVIDisAirb
 orne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 i
 n a Respiratory Aerosol\n\n#COVIDisAirborne, Amaro, Stone, Miller, Chong..
 .\n\nWe seek to completely revise current models of airborne transmission 
 of respiratory viruses by providing never-before-seen atomic-level views o
 f the SARS-CoV-2 virus within a respiratory aerosol. Our work dramatically
  extends the capabilities of multiscale computational microscopy to addres
 s the sig...\n\n---------------------\nIntelligent Resolution: Integrating
  Cryo-EM with AI-Driven Multi-Resolution Simulations to Observe the SARS-C
 oV-2 Replication-Transcription Machinery in Action\n\nTrifan, Gorgun, Li, 
 Brace, Zvyagin...\n\nThe severe acute respiratory syndrome coronavirus-2 (
 SARS-CoV-2) replication transcription complex (RTC) is a multi-domain prot
 ein responsible for replicating and transcribing the viral mRNA inside a h
 uman cell. Attacking RTC function with pharmaceutical compounds is a pathw
 ay to treating COVID-19. ...\n\n\nTag: AI-HPC Convergence, Computational S
 cience, Extreme Scale Computing, Performance, Scientific Computing\n\nRegi
 stration Category: Tech Program Reg Pass
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