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Neutralizing Effect of Synthetic Peptides toward SARS-CoV-2.
Souza PFN, vanTilburg MF, Mesquita FP, Amaral JL, Lima LB, Montenegro RC, Lopes FES, Martins RX, Vieira L, Farias DF, Monteiro-Moreira ACO, Freitas CDT, Bezerra AS, Guedes MIF, Castelo-Branco DSCM, Oliveira JTA. Souza PFN, et al. Among authors: lopes fes. ACS Omega. 2022 Apr 28;7(18):16222-16234. doi: 10.1021/acsomega.2c02203. eCollection 2022 May 10. ACS Omega. 2022. PMID: 35530749 Free PMC article.
Quantum biochemistry, molecular docking, and dynamics simulation revealed synthetic peptides induced conformational changes affecting the topology of the catalytic site of SARS-CoV-2 main protease.
Amaral JL, Oliveira JTA, Lopes FES, Freitas CDT, Freire VN, Abreu LV, Souza PFN. Amaral JL, et al. Among authors: lopes fes. J Biomol Struct Dyn. 2022;40(19):8925-8937. doi: 10.1080/07391102.2021.1920464. Epub 2021 May 5. J Biomol Struct Dyn. 2022. PMID: 33949286 Free PMC article.