Structures and Properties of the Self-Assembling Diphenylalanine Peptide Nanotubes Containing Water Molecules: Modeling and Data Analysis

The structures and properties of the diphenylalanine (FF) peptide nanotubes (PNTs), both L-chiral and D-chiral (L-FF and D-FF) and empty and filled with water/ice clusters, are presented and analyzed. DFT (VASP) and semi-empirical calculations (HyperChem) to study these structural and physical prope...

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Autores principales: Bystrov, Vladimir, Coutinho, Jose, Zelenovskiy, Pavel, Nuraeva, Alla, Kopyl, Svitlana, Zhulyabina, Olga, Tverdislov, Vsevolod
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7600064/
https://www.ncbi.nlm.nih.gov/pubmed/33050446
http://dx.doi.org/10.3390/nano10101999

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