BiochemistryDigital DiscoveryPeer-reviewed
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors
AkshatKumar Nigam, Matthew F. D. Hurley, Fengling Li…·Alán Aspuru‐Guzik
This paper introduces a computational pipeline for identifying SARS-CoV-2 nsp14 inhibitors using virtual screening, identifying seven candidates including NSC620333 and SS148, with experimental validation of binding affinity and structural insights.
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