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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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| Publicado no: | Sci Rep |
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| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7550358/ https://ncbi.nlm.nih.gov/pubmed/33046764 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-74099-5 |
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