Discovery of novel spike/ACE2 inhibitory macrocycles using in silico reinforcement learning
Introduction: The COVID-19 pandemic has cast a heavy toll in human lives and global economics. COVID-19 is caused by the SARS-CoV-2 virus, which infects cells via its spike protein binding human ACE2.Methods: To discover potential inhibitory peptidomimetic macrocycles for the spike/ACE2 complex we d...
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Frontiers Media S.A.,
2022-12-01T00:00:00Z.
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