Discover and read the best of Twitter Threads about #fahpockets
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🚨#COVID19 PAPER ALERT🚨
F@h simulations of the #coronavirus Nsp16 protein (1) reveal the structural mechanism of its activation, which ultimately enables the virus to escape our immune system, & (2) detect a ‘cryptic’ pocket to block Nsp16’s action.
biorxiv.org/content/10.110…
F@h simulations of the #coronavirus Nsp16 protein (1) reveal the structural mechanism of its activation, which ultimately enables the virus to escape our immune system, & (2) detect a ‘cryptic’ pocket to block Nsp16’s action.
biorxiv.org/content/10.110…
For successful infection, #coronaviruses use a protein called Nsp16 that modifies the viral genome so that the virus avoids an immune response. Nsp16 works by binding 2 substrates: RNA (green) and SAM (pink). Viruses and humans contain similar (homologous) proteins. 
Unlike other viruses and humans, #coronavirus Nsp16 requires a binding partner (Nsp10) to activate its enzymatic activity. This difference is interesting from a basic science standpoint, and because it could present a way to target the coronavirus selectively with a drug.
🚨#COVID19 PAPER ALERT🚨
With your help, F@h became the first #exascale computer, collected 100,000X more data than a normal paper, learned how the #Demogorgon evades our immune system, and discovered drug targets called ‘cryptic’ pockets (#FAHPockets)!
biorxiv.org/content/10.110…
With your help, F@h became the first #exascale computer, collected 100,000X more data than a normal paper, learned how the #Demogorgon evades our immune system, and discovered drug targets called ‘cryptic’ pockets (#FAHPockets)!
biorxiv.org/content/10.110…
With over a million people downloading F@h, we reached #exascale computing speed within weeks. This made us >5X faster than the IBM Summit supercomputer, the fastest traditional supercomputer in the world!
This newfound power enabled us to simulate every possible protein from the #SARSCoV2 virus in parallel. Together, we generated the largest dataset of protein dynamics in history. We’ve highlighted some of our exciting findings in this thread:
