BiochemistrybioRxivPreprint
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors
A. Nigam, M. F. D. Hurley, F. Li…·A. 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.
DOI 10.1101/2023.10.03.560722