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Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation

We performed molecular dynamics simulation of the dimeric SARS-CoV-2 (severe acute respiratory syndrome corona virus 2) main protease (M(pro)) to examine the binding dynamics of small molecular ligands. Seven HIV inhibitors, darunavir, indinavir, lopinavir, nelfinavir, ritonavir, saquinavir, and tip...

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Detalles Bibliográficos
Autores principales:	Komatsu, Teruhisa S., Okimoto, Noriaki, Koyama, Yohei M., Hirano, Yoshinori, Morimoto, Gentaro, Ohno, Yousuke, Taiji, Makoto
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7550358/ https://www.ncbi.nlm.nih.gov/pubmed/33046764 http://dx.doi.org/10.1038/s41598-020-74099-5

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