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A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers.
J Biomol Struct Dyn. 2022;40(19):9214-9234. doi: 10.1080/07391102.2021.1924271. Epub 2021 May 10.
J Biomol Struct Dyn. 2022.
PMID: 33970798
Free PMC article.
Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants.
Guedes IA, Costa LSC, Dos Santos KB, Karl ALM, Rocha GK, Teixeira IM, Galheigo MM, Medeiros V, Krempser E, Custódio FL, Barbosa HJC, Nicolás MF, Dardenne LE.
Guedes IA, et al. Among authors: costa lsc.
Sci Rep. 2021 Mar 10;11(1):5543. doi: 10.1038/s41598-021-84700-0.
Sci Rep. 2021.
PMID: 33692377
Free PMC article.
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Molecular Dynamics Gives New Insights into the Glucose Tolerance and Inhibition Mechanisms on β-Glucosidases.
Costa LSC, Mariano DCB, Rocha REO, Kraml J, Silveira CHD, Liedl KR, de Melo-Minardi RC, Lima LHF.
Costa LSC, et al.
Molecules. 2019 Sep 4;24(18):3215. doi: 10.3390/molecules24183215.
Molecules. 2019.
PMID: 31487855
Free PMC article.
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