ArticleJournal of molecular modeling2019
Molecular modeling and computational study of the chiral-dependent structures and properties of self-assembling diphenylalanine peptide nanotubes.
Article in Journal of molecular modeling, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed, 31 citations in OpenAlex.
- Molecular self-assembled helix peptide nanotubes based on some amino acid molecules and their dipeptides: molecular modeling studies.Journal of molecular modeling · 2024Article
- Molecular modelling and computational studies of peptide diphenylalanine nanotubes, containing waters: structural and interactions analysis.Journal of molecular modeling · 2022Article
- Molecular Dynamics Simulation Study of the Self-Assembly of Phenylalanine Peptide Nanotubes.Nanomaterials (Basel, Switzerland) · 2022Article
- Quantitative Assessment of Chirality of Protein Secondary Structures and Phenylalanine Peptide Nanotubes.Nanomaterials (Basel, Switzerland) · 2021Article
- Modeling of Self-Assembled Peptide Nanotubes and Determination of Their Chirality Sign Based on Dipole Moment Calculations.Nanomaterials (Basel, Switzerland) · 2021Article
- Molecular modeling and computational study of the chiral-dependent structures and properties of the self-assembling diphenylalanine peptide nanotubes, containing water molecules.Journal of molecular modeling · 2020Article
- Structures and Properties of the Self-Assembling Diphenylalanine Peptide Nanotubes Containing Water Molecules: Modeling and Data Analysis.Nanomaterials (Basel, Switzerland) · 2020Article
Corrections and comments
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Authors and funding
6 authors at 4 institutions in 2 countries.
Funding
Abstract
The structure and properties of diphenylalanine (FF) peptide nanotubes (PNT) based on phenylalanine were investigated by various molecular modeling methods. The main approach employed semi-empirical quantum-chemical methods (PM3 and AM1). Ab initio, density functional theory methods and molecular mechanical approaches were also used. Both model structures and structures extracted from experimental crystallographic databases obtained by X-ray methods were examined. A comparison of optimized model structures and structures obtained by natural self-assembly revealed important differences depending on chirality: D and L. In both the cases, the effect of chirality on the results of self-assembly of FF PNT was established: PNT based on the D-FF has large condensation energy E
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Registered trials
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