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Design and Test of Molecules that Interfere with the Recognition Mechanisms between the SARS-CoV-2 Spike Protein and Its Host Cell Receptors.
Scantamburlo F, Masgras I, Ciscato F, Laquatra C, Frigerio F, Cinquini F, Pavoni S, Triveri A, Frasnetti E, Serapian SA, Colombo G, Rasola A, Moroni E. Scantamburlo F, et al. Among authors: moroni e. J Chem Inf Model. 2024 Nov 11;64(21):8274-8282. doi: 10.1021/acs.jcim.4c01511. Epub 2024 Oct 23. J Chem Inf Model. 2024. PMID: 39440601
The Answer Lies in the Energy: How Simple Atomistic Molecular Dynamics Simulations May Hold the Key to Epitope Prediction on the Fully Glycosylated SARS-CoV-2 Spike Protein.
Serapian SA, Marchetti F, Triveri A, Morra G, Meli M, Moroni E, Sautto GA, Rasola A, Colombo G. Serapian SA, et al. Among authors: moroni e. J Phys Chem Lett. 2020 Oct 1;11(19):8084-8093. doi: 10.1021/acs.jpclett.0c02341. Epub 2020 Sep 14. J Phys Chem Lett. 2020. PMID: 32885971 Free PMC article.
154 results