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Understanding the role of water on temperature-dependent structural modifications of SARS CoV-2 main protease binding sites
Thermally stable and labile proteases are found in microorganisms. Protease mediates the cleavage of polyproteins in the virus replication and transcription process. 6 µs MD simulations were performed for monomer/dimer SARS CoV-2 main protease system in both SPC/E and mTIP3P water model to analyse t...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier B.V.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9297661/ https://www.ncbi.nlm.nih.gov/pubmed/35873078 http://dx.doi.org/10.1016/j.molliq.2022.119867 |