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Examination of Solvent Interactions with Trp-Cage in 1,1,1,3,3,3-Hexafluoro-2-propanol-water at 298 K through MD Simulations and Intermolecular Nuclear Overhauser Effects

[Image: see text] MD simulations of the peptide Trp-cage dissolved in 28% hexafluoroisopropanol (HFIP)-water have been carried out at 298 K with the goal of exploring peptide hydrogen–solvent fluorine nuclear spin cross-relaxation. The work was motivated by the observation that most experimental flu...

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Detalles Bibliográficos
Autor principal:	Gerig, J. T.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10258800/ https://www.ncbi.nlm.nih.gov/pubmed/37249321 http://dx.doi.org/10.1021/acs.jpcb.3c01029

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