The work of Stony Brook University’s Ken Dill, Carlos Simmerling and Emiliano Brini has been featured in a Texas Advanced Computing Center (TACC) article, “Protein Storytelling to Address the Pandemic.” The piece details new computational tools developed at Stony Brook to help characterize protein structures and identify new treatments for COVID-19, research that was published in the November 27 Science magazine.
Dill, Louis & Beatrice Laufer Endowed Chair of Physical & Quantitative Biology and director of the Laufer Center for Physical and Quantitative Biology, is using the Frontera supercomputer at TACC to make structure predictions for 19 proteins from the SARS-CoV-2 virus. His team is using a method that they developed called MELD, which accelerates the structure prediction process by providing vague but important information about the system being studied.
The Laufer Center team is involved in a number of efforts to find drugs and treatments for COVID-19, with support from the White House-organized COVID-19 HPC Consortium, an effort among Federal government, industry and academic leaders to provide access to the world’s most powerful high-performance computing resources in support of COVID-19 research.
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