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Isolation, characterization and in silico study of propenamide alkaloids from Hymenoepmecis bicolor poison against active μ-opioid receptor.
J Biomol Struct Dyn. 2023;41(24):14621-14637. doi: 10.1080/07391102.2023.2183043. Epub 2023 Feb 23.
J Biomol Struct Dyn. 2023.
PMID: 36815273
The search for new efficient inhibitors of SARS-COV-2 through the De novo drug design developed by artificial intelligence.
da Fonseca AM, Cabongo SQ, Caluaco BJ, Colares RP, Fernandes CFC, Dos Santos HS, de Lima-Neto P, Marinho ES.
da Fonseca AM, et al. Among authors: caluaco bj.
J Biomol Struct Dyn. 2023 Nov;41(19):9890-9906. doi: 10.1080/07391102.2022.2148128. Epub 2022 Nov 24.
J Biomol Struct Dyn. 2023.
PMID: 36420665
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Screening of Potential Inhibitors Targeting the Main Protease Structure of SARS-CoV-2 via Molecular Docking, and Approach with Molecular Dynamics, RMSD, RMSF, H-Bond, SASA and MMGBSA.
da Fonseca AM, Caluaco BJ, Madureira JMC, Cabongo SQ, Gaieta EM, Djata F, Colares RP, Neto MM, Fernandes CFC, Marinho GS, Dos Santos HS, Marinho ES.
da Fonseca AM, et al. Among authors: caluaco bj.
Mol Biotechnol. 2023 Jul 25. doi: 10.1007/s12033-023-00831-x. Online ahead of print.
Mol Biotechnol. 2023.
PMID: 37490200
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