AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

We develop a generalizable AI-driven workflow that leverages heterogeneous HPC resources to explore the time-dependent dynamics of molecular systems. We use this workflow to investigate the mechanisms of infectivity of the SARS-CoV-2 spike protein, the main viral infection machinery. Our workflow en...

पूर्ण विवरण

में बचाया:
ग्रंथसूची विवरण
में प्रकाशित:Int J High Perform Comput Appl
मुख्य लेखकों: Casalino, Lorenzo, Dommer, Abigail C, Gaieb, Zied, Barros, Emilia P, Sztain, Terra, Ahn, Surl-Hee, Trifan, Anda, Brace, Alexander, Bogetti, Anthony T, Clyde, Austin, Ma, Heng, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Chong, Lillian T, Simmerling, Carlos, Hardy, David J, Maia, Julio DC, Phillips, James C, Kurth, Thorsten, Stern, Abraham C, Huang, Lei, McCalpin, John D, Tatineni, Mahidhar, Gibbs, Tom, Stone, John E, Jha, Shantenu, Ramanathan, Arvind, Amaro, Rommie E
स्वरूप: Artigo
भाषा:Inglês
प्रकाशित: SAGE Publications 2021
विषय:
Special Issue Papers
ऑनलाइन पहुंच:https://ncbi.nlm.nih.gov/pmc/articles/PMC8064023/
https://ncbi.nlm.nih.gov/pubmed/38603008
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1177/10943420211006452
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