BiophysicsScientific ReportsPeer-reviewed
Structure-based discovery of inhibitors of Mac1 domain of nonstructural protein-3 of SARS-CoV-2 by machine learning-augmented screening of chemical space
Fuqiang Ban, Rahul Ravichandran, G.J. Correy…·Francesco Gentile
The paper uses machine learning-augmented virtual screening to discover a novel series of Mac1 inhibitors for SARS-CoV-2 NSP3, validated by experimental assays and crystallography.
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