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

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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Bibliographic Details
Main Authors: Vladimir Bystrov, Jose Coutinho, Pavel Zelenovskiy, Alla Nuraeva, Svitlana Kopyl, Olga Zhulyabina, Vsevolod Tverdislov
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Nanomaterials
Subjects:
diphenylalanine
peptide nanotubes
self-assembly
water molecules
DFT
molecular modelling
Online Access:https://www.mdpi.com/2079-4991/10/10/1999

Internet

https://www.mdpi.com/2079-4991/10/10/1999

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