Projects 13462 and 13463 are moving to full FAH for COVID Moonshot Sprint 12 shortly, which aims to help prioritize the final stages of synthesis for the first-generation SARS-CoV-2 focused compounds for the COVID Moonshot.
Project 13462 simulates the small molecule antiviral bound to the SARS-CoV-2 Mpro dimer in solution, and is aimed at "wide" GPUs.
Project 13463 simulates the small molecule antiviral in solution, and is aimed at "narrow" GPUs.
~ John Chodera // MSKCC
[GPU, Core22] COVID Moonshot Sprint 12: 13462-3 to FAH
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JohnChodera
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