AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2
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DOI: 10.1021/acs.jcim.2c01377
Abstract: Direct-acting antivirals for the treatment of the COVID-19 pandemic caused by the SARS-CoV-2 virus are needed to complement vaccination efforts. Given the ongoing emergence of new variants, automated experimentation, and active learning based fast workflows… read more here.
Keywords: targeted covalent; covalent inhibitors; design targeted; accelerated design ... See more keywords