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Structural deformability induced in proteins of potential interest associated with COVID-19 by binding of homologues present in ivermectin: Comparative study based in elastic networks models.
González-Paz L, Hurtado-León ML, Lossada C, Fernández-Materán FV, Vera-Villalobos J, Loroño M, Paz JL, Jeffreys L, Alvarado YJ. González-Paz L, et al. J Mol Liq. 2021 Oct 15;340:117284. doi: 10.1016/j.molliq.2021.117284. Epub 2021 Aug 17. J Mol Liq. 2021. PMID: 34421159 Free PMC article.
Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT.
Alvarado YJ, Olivarez Y, Lossada C, Vera-Villalobos J, Paz JL, Vera E, Loroño M, Vivas A, Torres FJ, Jeffreys LN, Hurtado-León ML, González-Paz L. Alvarado YJ, et al. Comput Biol Chem. 2022 Aug;99:107692. doi: 10.1016/j.compbiolchem.2022.107692. Epub 2022 May 14. Comput Biol Chem. 2022. PMID: 35640480 Free PMC article.