Polymorphism, Structure, and Nucleation of Cholesterol·H(2)O at Aqueous Interfaces and in Pathological Media: Revisited from a Computational Perspective

[Image: see text] We revisit the important issues of polymorphism, structure, and nucleation of cholesterol·H(2)O using first-principles calculations based on dispersion-augmented density functional theory. For the lesser known monoclinic polymorph, we obtain a fully extended H-bonded network in a s...

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Detalles Bibliográficos
Autores principales: Shepelenko, Margarita, Hirsch, Anna, Varsano, Neta, Beghi, Fabio, Addadi, Lia, Kronik, Leeor, Leiserowitz, Leslie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8972249/
https://www.ncbi.nlm.nih.gov/pubmed/35293741
http://dx.doi.org/10.1021/jacs.1c10563

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