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DTSTART:19700308T020000
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DTSTAMP:20211207T055409Z
LOCATION:240-241-242
DTSTART;TZID=America/Chicago:20211119T092000
DTEND;TZID=America/Chicago:20211119T094000
UID:submissions.supercomputing.org_SC21_sess337_ws_urgent106@linklings.com
SUMMARY:Lessons Learned from Responsive Molecular Dynamics Studies of the 
 COVID-19 Virus
DESCRIPTION:Workshop\n\nLessons Learned from Responsive Molecular Dynamics
  Studies of the COVID-19 Virus\n\nHardy, Stone, Isralewitz, Tajkhorshid\n\
 nOver the past 18 months, the need to perform atomic detail molecular dyna
 mics simulations of the SARS-CoV-2 virion, its spike protein, and other st
 ructures related to the viral infection cycle has led biomedical researche
 rs worldwide to urgently seek out all available biomolecular structure inf
 ormation, appropriate molecular modeling and simulation software, and the 
 necessary computing resources to conduct their work. We describe our exper
 iences from several COVID-19 research collaborations and the challenges th
 ey presented in terms of our molecular modeling software development and s
 upport efforts, our laboratory's local computing environment, and our scie
 ntists' use of non-traditional HPC hardware platforms such as public cloud
 s for large scale parallel molecular dynamics simulations.\n\nTag: Applica
 tions, Big Data, Computational Science, Data Analytics, Emerging Technolog
 ies, Extreme Scale Computing, Machine Learning and Artificial Intelligence
 \n\nRegistration Category: Workshop Reg Pass
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