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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.
Mol Biotechnol. 2023 Jul 25. doi: 10.1007/s12033-023-00831-x. Online ahead of print.
Mol Biotechnol. 2023.
PMID: 37490200
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: cabongo sq.
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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