Jeremy Thomas/LLNL
LLNL scientists are contributing to the global fight against COVID-19 by combining artificial intelligence/machine learning, bioinformatics and supercomputing to help discover candidates for new antibodies and pharmaceutical drugs to combat the disease. Armed with the virus’ predicted 3D structure and a few antibodies known to bind and neutralize SARS, an LLNL team led by Daniel Faissol and Thomas Desautels used two HPC clusters to perform AI-driven virtual screening of antibodies capable of binding to SARS-CoV-2, generating high-fidelity simulations to test the molecular interactions for efficacy. Read more at LLNL News.
