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Linking inhibitor motions to proteolytic stability of sunflower trypsin inhibitor-1
The remarkable capability of an enzyme isn't only determined by its active site but also controlled by the environment. To unravel the environment role in catalysis, the dynamic motions as well as the static mechanism need to be studied. In this work, QM/MM MD simulations were employed to study...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063939/ https://www.ncbi.nlm.nih.gov/pubmed/35519558 http://dx.doi.org/10.1039/c9ra02114k |