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GaMD simulations as an alternative in the TFE-water mixture description
ABSTRACT: Context: 2,2,2-Trifluoroethanol has been widely used to study the structure and dynamic properties of intrinsically disordered proteins. Experimentally, it is known that TFE-water mixtures stabilize secondary structures of IDPs, and therefore, it allows the studying of conformational ensem...
Autores principales: | Pérez-Trejo, Itzel, Dominguez, Laura |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer Berlin Heidelberg
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10618327/ https://www.ncbi.nlm.nih.gov/pubmed/37906368 http://dx.doi.org/10.1007/s00894-023-05749-4 |
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