Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation

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Authors: L. El Khoury, Z. Jing, A. Cuzzolin, A. Deplano, D. Loco, B. Sattarov, F. Hédin, S. Wendeborn, C. Ho, D. El Ahdab, T. Jaffrelot Inizan, M. Sturlese, A. Sosic, M. Volpiana, A. Lugato, M. Barone, B. Gatto, M. Ludovica Macchia, M. Bellanda, R. Battistutta, C. Salata, I. Kondratov, R. Iminov, A. Khairulin, Y. Mykhalonok, A. Pochepko, V. Chashka-Ratushnyi , I. Kos, S. Moro, M. Montes, P. Ren, J. W. Pon

Journal title: Chem. Sc.

Journal number: 13

Journal publisher: The Royal Society of Chemistry’s

Published year: 2022

Published pages: 3674-3687

DOI identifier: 10.1039/d1sc05892d

ISSN: 2041-6539